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1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase

Activated phosphatidylinositol-specific phospholipase C enzymes catalyze the production of the second messenger molecules diacylglycerol (DAG) and inositol 1,4,5-trisphosphate (IP3) involved in G-protein coupled receptor signaling pathways. PLCB4 is a direct effector of the endothelin receptor signaling pathway that plays an essential role in lower jaw and middle ear structures development.

AlphaFold DB , UniProt , Accession A0A087X879, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,243 aa.

						>A0A087X879_POEFO|A0A087X879
MTKSYEFNWQKHLPEFMQEGASFDRFDEDPYLFEPNCQMKVDEYGFFITWKSEGKEGQVLECSLINSIRVGAVPKDPKILSSFEAIGKTEADLEGCIICICSGTDLVNLSFMFMVAESPDTARKWIEGLRSVIHNFKANNVCPMTCLKKHWMRMCFLTNVNGKIPVRGITRTFASGKTEKGIFQALKDLGLPSGKNDEIEPSDFTFDIFYALTQKICPRTDIEELFKKINGNKTDYLTVDQLVSFLNENQRDPRLNEILFPFYDPKRAMQIIEKYERDEELKKKGRMSSDGFCRYLMSDENAPVFLDRLELYQDMDQPLAHYFISSSHNTYLTGRQFGGKSSMEMYRQVLLSGCRCVELDCWDGKGEDQEPIITHGKAMCTDILFKDVIQAIKETAFVTSDYPVILSFENHCSKLQQYKMAKYCEELFGDLLLRQPLENYPMDPGHPLPSPNDLKRKILIKNKRLKPEVEQRQLEALKKHMEAGETNTPAIIMGEENEDDAENGEKEAEDKDLNSEAPSILSEVTSEKETNSVSQSNAISSGKEEERSNSIKKVPDDEVTEISEATDATDISEASDQDNNKKGGDVAEDSEEALIAQYKYESATTNIHPYLSAMVNYAQPVKFQGFDVAEERNIHHNMSSFNESVGLGYLKTNAIEFVNYNKRQMSRIYPKGGRVDSSNYMPQIFWNAGCQMVSLNFQTPDLAMQLNQGKFEYNGCCGYLLKPDFMRRSDRTFDPFSETPVDGVIAATCSVQVFSGQFLSDKKIGTYVEVDMYGLPTDTIRKEFRTRMVMNNGLNPAYNEEPFVFRKVILPDLAVLRIAVYDDNNKLIGQRILPLDGLQAGYRHISLRNEGNNPLSLPTVFCQIILKTYVPDGFGAIVDALSDPKKFLTIAEKRADQMKALGIDTNDIADVPNGSSKNDKKGKGKGDTGKASVTQQASSDMAQTSNSVQNNTNENKKAVLDAALVPNVSIDDLKQMKSYLKLIKKQQKELNALKKKHSKDQNAMQKAHCTQVDKLVSLHEKEKTNLEKLLEKAIKKRGENNCQELKKETEDKIQTLTTDHKAKGQVKDITAQHTKEWSELISSHSSEEREMKDSHVTQQCEHLKKLLSSVQEQQTLQLKLIHERQSKEMRANQAKMSMENSKAISQDKSIKNKAERERRVRELNCSNTKKFLDERKRLAMKHQKEMEQLEKNQTEQLDKLEKHNEQLLKSHHANKQVQGQGHPADGEVGGGDGPQTCHGGLSD
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	54.5	Low	74.6	Confident	42 Å²	42	75.4 Å²	75.4	21%	0.207	37%	0.366	C	S	.	.				0	150.3	0	-72.8	-174.2	-116.3	0	0	110	K3 Y5 Y263 R267 F305	M1-K3 CarbonylContact C-O 3.51Å; M1-K3 VanDerWaalsContact C-O 3.32Å; M1-Y5 HydrophobicContact CE-CD1 3.57Å; M1-Y5 HydrophobicContact CE-CD2 3.69Å; M1-Y5 HydrophobicContact CE-CE1 4.07Å; M1-Y5 HydrophobicContact CE-CE2 4.19Å; M1-Y5 HydrophobicContact CE-CG 3.35Å; M1-Y5 HydrophobicContact SD-CD2 4.28Å; M1-Y5 HydrophobicContact SD-CG 4.16Å; M1-Y263 PolarHBondContact N-OH 2.93Å; M1-Y263 VanDerWaalsContact O-CE1 3.27Å; M1-Y263 WeakPolarHBondContact O-CE1 3.34Å; M1-R267 PolarHBondContact O-NH2 2.64Å; M1-R267 VanDerWaalsContact O-NH2 3.14Å; M1-F305 HydrophobicContact CE-CD1 4.17Å; M1-F305 HydrophobicContact CG-CD1 3.98Å; M1-F305 HydrophobicContact CG-CE1 3.96Å; M1-F305 HydrophobicContact SD-CD1 4.15Å
2	T	59.2	Low	75.5	Confident	27 Å²	27	82.4 Å²	82.4	17%	0.166	40%	0.397	C	S	.	.			trans	-86.6	-23.6	-174.3	56.2	0	0	0	0	114.3	P261 Y263 R267	T2-P261 WeakPolarHBondContact CB-O 3.47Å; T2-P261 WeakPolarHBondContact CG2-O 3.38Å; T2-P261 PolarHBondContact OG1-O 3.4Å; T2-Y263 HydrophobicContact CG2-CD1 3.71Å; T2-Y263 HydrophobicContact CG2-CD2 3.41Å; T2-Y263 VanDerWaalsContact CG2-CD2 3.41Å; T2-Y263 HydrophobicContact CG2-CE1 3.75Å; T2-Y263 HydrophobicContact CG2-CE2 3.48Å; T2-Y263 VanDerWaalsContact CG2-CE2 3.48Å; T2-Y263 HydrophobicContact CG2-CG 3.54Å; T2-R267 WeakPolarHBondContact O-CD 3.35Å; T2-R267 VanDerWaalsContact O-CG 3.3Å; T2-R267 WeakPolarHBondContact O-CG 3.32Å; T2-R267 PolarHBondContact O-NE 3.35Å
3	K	65.5	Low	76.4	Confident	161 Å²	161	76.9 Å²	76.9	70%	0.7	37%	0.371	S	S	*	.	S	Bend	trans	-75.7	155.8	152.1	-66.2	176.7	-177.6	172.4	0	109.7	M1 R267	M1-K3 CarbonylContact C-O 3.51Å; M1-K3 VanDerWaalsContact C-O 3.32Å; K3-R267 PolarHBondContact O-NE 3.03Å; K3-R267 PolarHBondContact O-NH2 2.85Å
4	S	68.8	Low	77.4	Confident	74 Å²	74	73.6 Å²	73.6	52%	0.517	36%	0.359	S	S	.	.			trans	-63.7	134.7	163.1	-165.4	0	0	0	0	108.8
5	Y	70.3	Confident	78.3	Confident	50 Å²	50	78.9 Å²	78.9	20%	0.196	38%	0.383	C	S	.	.			trans	-128.2	120.2	173.9	175.4	-95.8	0	0	0	107.7	M1 F7 L306	M1-Y5 HydrophobicContact CE-CD1 3.57Å; M1-Y5 HydrophobicContact CE-CD2 3.69Å; M1-Y5 HydrophobicContact CE-CE1 4.07Å; M1-Y5 HydrophobicContact CE-CE2 4.19Å; M1-Y5 HydrophobicContact CE-CG 3.35Å; M1-Y5 HydrophobicContact SD-CD2 4.28Å; M1-Y5 HydrophobicContact SD-CG 4.16Å; Y5-F7 HydrophobicContact CD1-CB 4.34Å; Y5-F7 HydrophobicContact CE1-CB 3.74Å; Y5-F7 HydrophobicContact CE1-CD2 4.07Å; Y5-F7 HydrophobicContact CE1-CG 4.32Å; Y5-L306 HydrophobicContact CE1-CB 3.87Å; Y5-L306 HydrophobicContact CE1-CD1 4.17Å
6	E	73.7	Confident	79.3	Confident	163 Å²	163	76.2 Å²	76.2	76%	0.762	37%	0.368	S	S	*	.			trans	-100.7	104.8	177.8	-175.9	156	-134.7	0	0	108.1	N8	E6-N8 VanDerWaalsContact C-N 3.27Å; E6-N8 PolarHBondContact O-N 3.08Å
7	F	83.3	Confident	80.1	Confident	12 Å²	12	71.7 Å²	71.7	5%	0.053	35%	0.347	C	S	.	.			trans	-73.1	85	177.1	-175.1	-134	0	0	0	109.1	Y5 W9 K137 N140 D299 L306 L309	Y5-F7 HydrophobicContact CD1-CB 4.34Å; Y5-F7 HydrophobicContact CE1-CB 3.74Å; Y5-F7 HydrophobicContact CE1-CD2 4.07Å; Y5-F7 HydrophobicContact CE1-CG 4.32Å; F7-W9 VanDerWaalsContact C-N 3.31Å; F7-W9 HydrophobicContact CD1-CB 4.15Å; F7-W9 AromaticContact CD1-CD1 3.7Å; F7-W9 HydrophobicContact CD1-CG 4.3Å; F7-W9 HydrophobicContact CE1-CB 3.94Å; F7-W9 HydrophobicContact CE1-CG 4.39Å; F7-W9 HydrophobicContact CZ-CB 4.36Å; F7-W9 PolarHBondContact O-N 3.23Å; F7-K137 HydrophobicContact CE1-CB 4.46Å; F7-K137 WeakPolarHBondContact CE1-O 3.5Å; F7-K137 HydrophobicContact CE2-CB 4.05Å; F7-K137 HydrophobicContact CE2-CD 4.16Å; F7-K137 HydrophobicContact CE2-CG 4.09Å; F7-K137 HydrophobicContact CZ-CB 3.71Å; F7-K137 HydrophobicContact CZ-CG 4.2Å; F7-K137 WeakPolarHBondContact CZ-O 3.33Å; F7-N140 HydrophobicContact CZ-CB 4.39Å; F7-D299 HydrophobicContact CB-CB 4.11Å; F7-D299 HydrophobicContact CD1-CB 4.45Å; F7-L306 HydrophobicContact CB-CD1 3.92Å; F7-L306 HydrophobicContact CD1-CD1 3.84Å; F7-L306 HydrophobicContact CD2-CB 3.79Å; F7-L306 HydrophobicContact CD2-CD1 3.96Å; F7-L306 HydrophobicContact CD2-CG 4.39Å; F7-L306 HydrophobicContact CE1-CD1 4.3Å; F7-L306 HydrophobicContact CE1-CD2 4.42Å; F7-L306 HydrophobicContact CE2-CB 3.85Å; F7-L306 HydrophobicContact CE2-CD1 4.41Å; F7-L306 HydrophobicContact CE2-CD2 4.48Å; F7-L306 HydrophobicContact CE2-CG 4.47Å; F7-L306 HydrophobicContact CG-CB 4.37Å; F7-L306 HydrophobicContact CG-CD1 3.65Å; F7-L306 HydrophobicContact CZ-CB 4.46Å; F7-L306 HydrophobicContact CZ-CD2 4.27Å; F7-L309 HydrophobicContact CZ-CD1 4.24Å
8	N	85.1	Confident	80.8	Confident	103 Å²	103	72.1 Å²	72.1	55%	0.551	35%	0.348	S	S	*	.			trans	-74.2	89.4	176.7	-169.6	7.1	0	0	0	110.3	E6 Q10 K137	E6-N8 VanDerWaalsContact C-N 3.27Å; E6-N8 PolarHBondContact O-N 3.08Å; N8-Q10 PolarHBondContact OD1-N 3.12Å; N8-Q10 PolarHBondContact OD1-O 3.02Å; N8-K137 VanDerWaalsContact O-CD 3.27Å; N8-K137 WeakPolarHBondContact O-CD 3.32Å
9	W	87.8	Confident	81.5	Confident	20 Å²	20	75.3 Å²	75.3	8%	0.076	36%	0.362	C	S	.	.			trans	-92.8	-9.6	172.4	60.7	-97.8	0	0	0	113	F7 Y44 F46 N135 K137 A138 V141 T145	F7-W9 VanDerWaalsContact C-N 3.31Å; F7-W9 HydrophobicContact CD1-CB 4.15Å; F7-W9 AromaticContact CD1-CD1 3.7Å; F7-W9 HydrophobicContact CD1-CG 4.3Å; F7-W9 HydrophobicContact CE1-CB 3.94Å; F7-W9 HydrophobicContact CE1-CG 4.39Å; F7-W9 HydrophobicContact CZ-CB 4.36Å; F7-W9 PolarHBondContact O-N 3.23Å; W9-Y44 AromaticContact CH2-CD1 3.75Å; W9-Y44 HydrophobicContact CH2-CD1 3.75Å; W9-Y44 AromaticContact CH2-CG 3.91Å; W9-Y44 HydrophobicContact CH2-CG 3.91Å; W9-Y44 HydrophobicContact CZ3-CD1 4.43Å; W9-Y44 HydrophobicContact CZ3-CG 4.46Å; W9-F46 HydrophobicContact CE3-CE1 4.28Å; W9-F46 HydrophobicContact CE3-CZ 4.38Å; W9-F46 AromaticContact CH2-CE1 3.95Å; W9-F46 HydrophobicContact CH2-CE1 3.95Å; W9-F46 AromaticContact CH2-CE2 3.94Å; W9-F46 HydrophobicContact CH2-CE2 3.94Å; W9-F46 AromaticContact CH2-CZ 3.29Å; W9-F46 HydrophobicContact CH2-CZ 3.29Å; W9-F46 HydrophobicContact CZ2-CZ 4.14Å; W9-F46 AromaticContact CZ3-CE1 3.57Å; W9-F46 HydrophobicContact CZ3-CE1 3.57Å; W9-F46 HydrophobicContact CZ3-CE2 4.31Å; W9-F46 AromaticContact CZ3-CZ 3.43Å; W9-F46 HydrophobicContact CZ3-CZ 3.43Å; W9-F46 VanDerWaalsContact CZ3-CZ 3.43Å; W9-N135 PolarHBondContact O-ND2 3.48Å; W9-N135 PolarHBondContact O-OD1 2.9Å; W9-K137 HydrophobicContact CB-CB 3.63Å; W9-A138 HydrophobicContact CE3-CB 4.04Å; W9-V141 HydrophobicContact CB-CG1 4.32Å; W9-V141 HydrophobicContact CD2-CG1 3.51Å; W9-V141 HydrophobicContact CE3-CG1 4.02Å; W9-V141 HydrophobicContact CG-CG1 3.63Å; W9-V141 HydrophobicContact CZ2-CG1 4.34Å; W9-T145 HydrophobicContact CH2-CG2 4.17Å; W9-T145 HydrophobicContact CZ2-CG2 3.71Å
10	Q	88.3	Confident	82.1	Confident	97 Å²	97	72.5 Å²	72.5	45%	0.453	35%	0.354	S	S	.	.			trans	-80.1	133.7	-177.7	-68.6	179	3.4	0	0	110.2	N8 Y44	N8-Q10 PolarHBondContact OD1-N 3.12Å; N8-Q10 PolarHBondContact OD1-O 3.02Å; Q10-Y44 HydrophobicContact CG-CD1 4.45Å
11	K	84.3	Confident	82.7	Confident	80 Å²	80	70.1 Å²	70.1	35%	0.348	35%	0.346	S	S	.	.			trans	-101.8	146	169.2	-70.5	-178.9	176.5	179.1	0	108.5	L13 S131 V132 I133 N135	K11-L13 PolarHBondContact O-N 3.33Å; K11-L13 VanDerWaalsContact O-N 3.16Å; K11-S131 WeakPolarHBondContact CD-O 3.43Å; K11-S131 WeakPolarHBondContact CE-O 3.24Å; K11-S131 PolarHBondContact NZ-O 3.22Å; K11-V132 PolarHBondContact NZ-O 2.83Å; K11-I133 PolarHBondContact NZ-O 2.63Å; K11-N135 HydrophobicContact CD-CB 4.19Å
12	H	84.7	Confident	84.6	Confident	160 Å²	160	70.7 Å²	70.7	74%	0.741	35%	0.354	S	S	*	.			trans	-65.2	113.3	173	172	-79.4	0	0	0	110.3
13	L	87.5	Confident	86.3	Confident	11 Å²	11	69.7 Å²	69.7	6%	0.058	35%	0.348	C	S	.	.			trans	-91.1	119.4	177.8	-179.7	68	0	0	0	110.6	K11 E15 M17 Q18 V41 D42 V132	K11-L13 PolarHBondContact O-N 3.33Å; K11-L13 VanDerWaalsContact O-N 3.16Å; L13-E15 PolarHBondContact O-N 3.27Å; L13-M17 HydrophobicContact CD1-CB 4.03Å; L13-M17 HydrophobicContact CD1-CE 3.8Å; L13-M17 HydrophobicContact CD1-SD 3.78Å; L13-M17 HydrophobicContact CG-CB 4.35Å; L13-Q18 HydrophobicContact CD2-CG 3.5Å; L13-Q18 HydrophobicContact CG-CG 4.05Å; L13-Q18 PolarHBondContact O-NE2 3.38Å; L13-V41 HydrophobicContact CD1-CB 4.31Å; L13-V41 HydrophobicContact CD1-CG1 3.92Å; L13-V41 HydrophobicContact CD2-CB 4.11Å; L13-V41 HydrophobicContact CD2-CG1 3.81Å; L13-D42 WeakPolarHBondContact CD2-O 3.31Å; L13-V132 HydrophobicContact CD1-CG2 3.54Å
14	P	90	Very high	87.6	Confident	31 Å²	31	62.3 Å²	62.3	20%	0.201	32%	0.316	C	S	.	.			trans	-55	136	177.6	-27.6	35.8	0	0	0	113.8	F16 M17	P14-F16 VanDerWaalsContact C-N 3.29Å; P14-F16 HydrophobicContact CB-CD1 3.54Å; P14-F16 HydrophobicContact CB-CE1 3.3Å; P14-F16 HydrophobicContact CB-CZ 4.24Å; P14-F16 HydrophobicContact CG-CE1 4.05Å; P14-F16 PolarHBondContact O-N 3.03Å; P14-M17 HydrophobicContact CB-CG 4.42Å; P14-M17 HydrophobicContact CB-SD 4.29Å; P14-M17 HydrophobicContact CG-SD 4.12Å; P14-M17 WeakPolarHBondContact O-CB 3.2Å; P14-M17 PolarHBondContact O-N 3.38Å
15	E	91.8	Very high	88.8	Confident	152 Å²	152	60 Å²	60	71%	0.71	30%	0.296	S	S	*	.	H	α-helix	trans	-53.5	-42.3	-173.3	-63.1	175.8	142.8	0	0	113	L13 M17 Q18 E19	L13-E15 PolarHBondContact O-N 3.27Å; E15-M17 PolarHBondContact O-N 3.14Å; E15-Q18 WeakPolarHBondContact O-CA 3.49Å; E15-Q18 WeakPolarHBondContact O-CB 2.94Å; E15-Q18 PolarHBondContact O-N 3.47Å; E15-E19 WeakPolarHBondContact O-CG 3.45Å; E15-E19 PolarHBondContact O-N 3.23Å
16	F	93.6	Very high	89.8	Confident	36 Å²	36	57.8 Å²	57.8	16%	0.158	29%	0.287	C	S	.	.	H	α-helix	trans	-57.5	-22.8	179.6	77.9	-92.4	0	0	0	114.2	P14 E19 G20 K124 W125	P14-F16 VanDerWaalsContact C-N 3.29Å; P14-F16 HydrophobicContact CB-CD1 3.54Å; P14-F16 HydrophobicContact CB-CE1 3.3Å; P14-F16 HydrophobicContact CB-CZ 4.24Å; P14-F16 HydrophobicContact CG-CE1 4.05Å; P14-F16 PolarHBondContact O-N 3.03Å; F16-E19 WeakPolarHBondContact CA-OE2 3.49Å; F16-G20 PolarHBondContact O-N 2.98Å; F16-K124 HydrophobicContact CD1-CD 4.46Å; F16-K124 VanDerWaalsContact CD1-CE 3.42Å; F16-K124 HydrophobicContact CD2-CD 4.31Å; F16-K124 HydrophobicContact CE1-CD 4.3Å; F16-K124 HydrophobicContact CE1-CG 4.05Å; F16-K124 HydrophobicContact CE2-CD 4.17Å; F16-K124 HydrophobicContact CE2-CG 3.99Å; F16-K124 HydrophobicContact CG-CD 4.46Å; F16-K124 HydrophobicContact CZ-CD 4.18Å; F16-K124 HydrophobicContact CZ-CG 3.69Å; F16-K124 WeakPolarHBondContact CZ-O 3.31Å; F16-W125 HydrophobicContact CD2-CD2 4.4Å; F16-W125 AromaticContact CD2-CE2 3.9Å; F16-W125 HydrophobicContact CD2-CZ2 4.25Å; F16-W125 AromaticContact CD2-NE1 3.8Å; F16-W125 AromaticContact CE2-CD1 3.89Å; F16-W125 AromaticContact CE2-CD2 3.95Å; F16-W125 HydrophobicContact CE2-CD2 3.95Å; F16-W125 AromaticContact CE2-CE2 3.92Å; F16-W125 AromaticContact CE2-CG 3.97Å; F16-W125 HydrophobicContact CE2-CG 3.97Å; F16-W125 AromaticContact CE2-NE1 3.86Å
17	M	93.6	Very high	90.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-80.5	-25.3	177.3	-59.2	177.6	63.4	0	0	112.2	L13 P14 E15 K40 V41 W125 G128 L129 V132	L13-M17 HydrophobicContact CD1-CB 4.03Å; L13-M17 HydrophobicContact CD1-CE 3.8Å; L13-M17 HydrophobicContact CD1-SD 3.78Å; L13-M17 HydrophobicContact CG-CB 4.35Å; P14-M17 HydrophobicContact CB-CG 4.42Å; P14-M17 HydrophobicContact CB-SD 4.29Å; P14-M17 HydrophobicContact CG-SD 4.12Å; P14-M17 WeakPolarHBondContact O-CB 3.2Å; P14-M17 PolarHBondContact O-N 3.38Å; E15-M17 PolarHBondContact O-N 3.14Å; M17-K40 CarbonylContact O-C 3.58Å; M17-K40 WeakPolarHBondContact O-CA 3.45Å; M17-V41 HydrophobicContact CB-CB 4.31Å; M17-V41 HydrophobicContact CB-CG2 4.44Å; M17-V41 HydrophobicContact CE-CB 4.42Å; M17-V41 HydrophobicContact CE-CG2 3.86Å; M17-V41 PolarHBondContact O-N 2.99Å; M17-W125 HydrophobicContact CB-CH2 4.22Å; M17-W125 HydrophobicContact CB-CZ3 4.16Å; M17-W125 HydrophobicContact CE-CE3 4.47Å; M17-W125 HydrophobicContact CE-CZ3 4.46Å; M17-W125 HydrophobicContact CG-CE3 4.29Å; M17-W125 HydrophobicContact CG-CH2 4.42Å; M17-W125 HydrophobicContact CG-CZ3 4.14Å; M17-G128 VanDerWaalsContact SD-C 3.55Å; M17-G128 VanDerWaalsContact SD-CA 3.54Å; M17-L129 HydrophobicContact CE-CB 4.36Å; M17-L129 HydrophobicContact CE-CD2 3.48Å; M17-L129 VanDerWaalsContact CE-CD2 3.48Å; M17-L129 HydrophobicContact CE-CG 3.75Å; M17-V132 HydrophobicContact CE-CG2 4.35Å
18	Q	92.8	Very high	90.2	Very high	79 Å²	79	55 Å²	55	37%	0.369	28%	0.275	S	S	.	.	H	α-helix	trans	-86.8	-39.4	175.9	-55.1	-178.2	54.1	0	0	110.8	L13 E15 G20 K40	L13-Q18 HydrophobicContact CD2-CG 3.5Å; L13-Q18 HydrophobicContact CG-CG 4.05Å; L13-Q18 PolarHBondContact O-NE2 3.38Å; E15-Q18 WeakPolarHBondContact O-CA 3.49Å; E15-Q18 WeakPolarHBondContact O-CB 2.94Å; E15-Q18 PolarHBondContact O-N 3.47Å; Q18-G20 VanDerWaalsContact C-N 3.25Å; Q18-G20 PolarHBondContact O-N 2.85Å; Q18-K40 PolarHBondContact O-NZ 3.18Å
19	E	93.6	Very high	89.7	Confident	133 Å²	133	57.6 Å²	57.6	62%	0.621	29%	0.289	S	S	*	.	H	α-helix	trans	-58.2	-40.2	166.5	-65.6	-179.5	136.9	0	0	111.2	E15 F16 K40	E15-E19 WeakPolarHBondContact O-CG 3.45Å; E15-E19 PolarHBondContact O-N 3.23Å; F16-E19 WeakPolarHBondContact CA-OE2 3.49Å; E19-K40 VanDerWaalsContact C-NZ 3.34Å; E19-K40 WeakPolarHBondContact O-CE 3.27Å; E19-K40 PolarHBondContact O-NZ 3.32Å
20	G	93.5	Very high	89.4	Confident	19 Å²	19	61.7 Å²	61.7	20%	0.196	32%	0.318	C	S	.	.			trans	79.7	168.1	175.9	0	0	0	0	0	113.7	F16 Q18 M39	F16-G20 PolarHBondContact O-N 2.98Å; Q18-G20 VanDerWaalsContact C-N 3.25Å; Q18-G20 PolarHBondContact O-N 2.85Å; G20-M39 CarbonylContact C-O 3.58Å; G20-M39 WeakPolarHBondContact CA-O 3.45Å
21	A	94.4	Very high	89.2	Confident	22 Å²	22	61.8 Å²	61.8	18%	0.182	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	164.5	179.1	0	0	0	0	0	111.4	F23 Q38 M39 W125	A21-F23 HydrophobicContact CB-CD2 4.42Å; A21-F23 HydrophobicContact CB-CE2 3.76Å; A21-F23 HydrophobicContact CB-CZ 4.2Å; A21-Q38 WeakPolarHBondContact O-CA 3.17Å; A21-M39 PolarHBondContact N-O 2.86Å; A21-M39 VanDerWaalsContact N-O 3.08Å; A21-M39 PolarHBondContact O-N 3.1Å; A21-W125 HydrophobicContact CB-CZ2 3.74Å
22	S	94.4	Very high	89.4	Confident	55 Å²	55	60 Å²	60	39%	0.385	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	137	170.4	-161.7	0	0	0	0	109.8	N36	S22-N36 WeakPolarHBondContact OG-CA 3.46Å; S22-N36 PolarHBondContact OG-OD1 3.48Å
23	F	95	Very high	89.6	Confident	5 Å²	5	54.3 Å²	54.3	2%	0.022	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	149.5	174.2	-65.4	-90.3	0	0	0	109.7	A21 N36 C37 M39 I98 M114 V115 A116 W125	A21-F23 HydrophobicContact CB-CD2 4.42Å; A21-F23 HydrophobicContact CB-CE2 3.76Å; A21-F23 HydrophobicContact CB-CZ 4.2Å; F23-N36 PolarHBondContact O-N 2.9Å; F23-C37 PolarHBondContact N-O 2.8Å; F23-C37 WeakPolarHBondContact O-CA 3.4Å; F23-C37 WeakPolarHBondContact O-CB 3.35Å; F23-C37 PolarHBondContact O-N 3.46Å; F23-M39 HydrophobicContact CD2-CB 3.89Å; F23-M39 HydrophobicContact CE2-CB 4.15Å; F23-M39 HydrophobicContact CE2-CE 4.04Å; F23-I98 HydrophobicContact CE1-CD1 3.86Å; F23-I98 HydrophobicContact CZ-CD1 4.4Å; F23-M114 HydrophobicContact CB-CB 4.36Å; F23-M114 HydrophobicContact CB-CE 4.11Å; F23-M114 HydrophobicContact CD1-CB 4.24Å; F23-M114 HydrophobicContact CD1-CE 3.49Å; F23-M114 VanDerWaalsContact CD1-CE 3.49Å; F23-M114 HydrophobicContact CD2-CE 3.58Å; F23-M114 HydrophobicContact CE1-CE 3.64Å; F23-M114 HydrophobicContact CE2-CE 3.72Å; F23-M114 HydrophobicContact CG-CB 4.5Å; F23-M114 HydrophobicContact CG-CE 3.45Å; F23-M114 VanDerWaalsContact CG-CE 3.45Å; F23-M114 HydrophobicContact CZ-CE 3.75Å; F23-V115 WeakPolarHBondContact CA-O 3.45Å; F23-A116 HydrophobicContact CD1-CB 4.18Å; F23-A116 HydrophobicContact CE1-CB 3.92Å; F23-W125 HydrophobicContact CE2-CD2 4.19Å; F23-W125 AromaticContact CE2-CE2 3.97Å; F23-W125 HydrophobicContact CE2-CZ2 4.16Å; F23-W125 HydrophobicContact CZ-CB 4.35Å; F23-W125 AromaticContact CZ-CD1 3.75Å; F23-W125 AromaticContact CZ-CD2 3.71Å; F23-W125 HydrophobicContact CZ-CD2 3.71Å; F23-W125 AromaticContact CZ-CE2 3.75Å; F23-W125 HydrophobicContact CZ-CE3 4.34Å; F23-W125 AromaticContact CZ-CG 3.71Å; F23-W125 HydrophobicContact CZ-CG 3.71Å; F23-W125 HydrophobicContact CZ-CZ2 4.39Å; F23-W125 AromaticContact CZ-NE1 3.76Å
24	D	93.6	Very high	89.8	Confident	7 Å²	7	54 Å²	54	4%	0.037	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	129.4	163.1	-54.4	-50.1	0	0	0	108.3	P35 N36 F83 I86 K88 M114 V115	D24-P35 WeakPolarHBondContact OD1-CA 3.45Å; D24-N36 PolarHBondContact OD1-N 3.17Å; D24-F83 HydrophobicContact CB-CE1 3.9Å; D24-F83 HydrophobicContact CB-CZ 4.45Å; D24-I86 WeakPolarHBondContact OD2-CD1 3.24Å; D24-K88 IonicContact OD2-NZ 2.82Å; D24-K88 PolarHBondContact OD2-NZ 2.85Å; D24-M114 CarbonylContact O-C 3.49Å; D24-M114 WeakPolarHBondContact O-CA 3.14Å; D24-V115 HydrophobicContact CB-CB 4.44Å; D24-V115 PolarHBondContact N-O 3.45Å; D24-V115 VanDerWaalsContact N-O 3.1Å; D24-V115 PolarHBondContact O-N 3.48Å
25	R	92.9	Very high	89.8	Confident	26 Å²	26	55 Å²	55	10%	0.098	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	144.2	177.2	169	179.7	164.8	-149.4	8.2	110.9	D27 F33 E34 F113	R25-D27 IonicContact CZ-OD2 2.62Å; R25-D27 IonicContact NE-OD1 3.65Å; R25-D27 IonicContact NE-OD2 2.84Å; R25-D27 PolarHBondContact NE-OD2 3.22Å; R25-D27 IonicContact NH2-OD2 3.2Å; R25-D27 PolarHBondContact NH2-OD2 2.98Å; R25-F33 CarbonylContact O-C 3.51Å; R25-F33 WeakPolarHBondContact O-CA 3.22Å; R25-E34 HydrophobicContact CB-CB 4.29Å; R25-E34 IonicContact CZ-OE2 3.73Å; R25-E34 PolarHBondContact N-O 3.33Å; R25-E34 IonicContact NE-OE2 3.34Å; R25-E34 IonicContact NH1-OE2 3.02Å; R25-E34 PolarHBondContact NH1-OE2 3.11Å; R25-E34 PolarHBondContact O-N 3.2Å; R25-F113 WeakPolarHBondContact CA-O 3.49Å; R25-F113 WeakPolarHBondContact CG-O 3.21Å
26	F	91.8	Very high	89.7	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.009	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	154.6	166.4	69.9	-91	0	0	0	111.9	E28 L32 F33 P74 I79 F83 I97 F113 V115	F26-E28 HydrophobicContact CE2-CG 4.39Å; F26-L32 WeakPolarHBondContact CA-O 3.33Å; F26-L32 WeakPolarHBondContact CB-O 3.33Å; F26-F33 HydrophobicContact CB-CD2 4.32Å; F26-P74 HydrophobicContact CE1-CG 4.28Å; F26-P74 HydrophobicContact CE2-CB 3.84Å; F26-P74 HydrophobicContact CE2-CG 4.2Å; F26-P74 HydrophobicContact CZ-CB 3.89Å; F26-P74 HydrophobicContact CZ-CG 3.82Å; F26-I79 HydrophobicContact CB-CG2 4.26Å; F26-I79 HydrophobicContact CD1-CG2 4.41Å; F26-I79 HydrophobicContact CD2-CD1 3.87Å; F26-I79 HydrophobicContact CD2-CG2 4.03Å; F26-I79 HydrophobicContact CE2-CD1 4.37Å; F26-I79 HydrophobicContact CE2-CG2 4.44Å; F26-I79 HydrophobicContact CG-CG2 3.99Å; F26-F83 AromaticContact CD1-CE2 3.84Å; F26-F83 HydrophobicContact CD1-CE2 3.84Å; F26-F83 AromaticContact CD1-CZ 3.83Å; F26-F83 HydrophobicContact CD1-CZ 3.83Å; F26-F83 HydrophobicContact CE1-CE2 4.19Å; F26-F83 HydrophobicContact CE1-CZ 4.31Å; F26-I97 HydrophobicContact CE1-CD1 4.44Å; F26-I97 HydrophobicContact CE1-CG2 4.41Å; F26-I97 HydrophobicContact CZ-CD1 4.46Å; F26-F113 HydrophobicContact CD1-CB 3.96Å; F26-F113 HydrophobicContact CD2-CB 3.95Å; F26-F113 HydrophobicContact CD2-CD2 4.35Å; F26-F113 HydrophobicContact CD2-CG 4.36Å; F26-F113 HydrophobicContact CE1-CB 3.61Å; F26-F113 HydrophobicContact CE1-CG 4.5Å; F26-F113 HydrophobicContact CE2-CB 3.59Å; F26-F113 HydrophobicContact CE2-CD1 4.41Å; F26-F113 AromaticContact CE2-CD2 3.96Å; F26-F113 HydrophobicContact CE2-CD2 3.96Å; F26-F113 AromaticContact CE2-CG 3.74Å; F26-F113 HydrophobicContact CE2-CG 3.74Å; F26-F113 HydrophobicContact CG-CB 4.14Å; F26-F113 HydrophobicContact CZ-CB 3.42Å; F26-F113 VanDerWaalsContact CZ-CB 3.42Å; F26-F113 HydrophobicContact CZ-CD1 4.24Å; F26-F113 AromaticContact CZ-CG 3.83Å; F26-F113 HydrophobicContact CZ-CG 3.83Å; F26-F113 PolarHBondContact N-O 3.38Å; F26-F113 WeakPolarHBondContact O-CB 3.23Å; F26-F113 PolarHBondContact O-N 3.04Å; F26-V115 HydrophobicContact CD1-CG2 4.06Å; F26-V115 HydrophobicContact CE1-CG2 3.82Å
27	D	87.4	Confident	89.7	Confident	23 Å²	23	51.7 Å²	51.7	12%	0.123	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	142.2	166.5	-57.8	-49.6	0	0	0	107.9	R25 Y31 L32	R25-D27 IonicContact CZ-OD2 2.62Å; R25-D27 IonicContact NE-OD1 3.65Å; R25-D27 IonicContact NE-OD2 2.84Å; R25-D27 PolarHBondContact NE-OD2 3.22Å; R25-D27 IonicContact NH2-OD2 3.2Å; R25-D27 PolarHBondContact NH2-OD2 2.98Å; D27-Y31 WeakPolarHBondContact O-CA 3.28Å; D27-L32 HydrophobicContact CB-CB 4.1Å; D27-L32 PolarHBondContact N-O 3.46Å; D27-L32 VanDerWaalsContact N-O 3.1Å; D27-L32 PolarHBondContact O-N 3.35Å; D27-L32 WeakPolarHBondContact OD2-CD2 3.49Å
28	E	78.4	Confident	89.7	Confident	95 Å²	95	55.3 Å²	55.3	44%	0.444	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-43.6	-172.5	-58.8	-167.8	136.2	0	0	113.3	F26 Y31 I79	F26-E28 HydrophobicContact CE2-CG 4.39Å; E28-Y31 WeakPolarHBondContact O-CA 3.47Å; E28-Y31 PolarHBondContact O-N 3.03Å; E28-I79 HydrophobicContact CB-CD1 4.35Å; E28-I79 HydrophobicContact CG-CD1 3.76Å
29	D	74.8	Confident	89.7	Confident	156 Å²	156	51.8 Å²	51.8	83%	0.834	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.9	116.6	175.5	-171.6	19.8	0	0	0	110.8
30	P	80.7	Confident	89.8	Confident	106 Å²	106	49.2 Å²	49.2	69%	0.688	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	cis	-68.1	137.7	-6.5	30.4	-35	0	0	0	111.4	L32	P30-L32 PolarHBondContact O-N 3Å; P30-L32 VanDerWaalsContact O-N 3.17Å
31	Y	85.2	Confident	89.8	Confident	99 Å²	99	48.6 Å²	48.6	39%	0.388	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	120.4	179	171.7	-92.6	0	0	0	112.3	D27 E28 K78 I79 S82	D27-Y31 WeakPolarHBondContact O-CA 3.28Å; E28-Y31 WeakPolarHBondContact O-CA 3.47Å; E28-Y31 PolarHBondContact O-N 3.03Å; Y31-K78 HydrophobicContact CD2-CB 4.16Å; Y31-K78 HydrophobicContact CD2-CD 4.21Å; Y31-K78 HydrophobicContact CE2-CB 3.57Å; Y31-K78 HydrophobicContact CE2-CD 4.35Å; Y31-K78 PolarHBondContact OH-O 3.43Å; Y31-I79 HydrophobicContact CD2-CG1 4.02Å; Y31-I79 HydrophobicContact CE2-CG1 3.72Å; Y31-S82 PolarHBondContact OH-OG 3.24Å
32	L	87.1	Confident	89.8	Confident	44 Å²	44	48 Å²	48	23%	0.23	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	141.6	178.1	-176.4	64.6	0	0	0	110.4	F26 D27 P30 E34	F26-L32 WeakPolarHBondContact CA-O 3.33Å; F26-L32 WeakPolarHBondContact CB-O 3.33Å; D27-L32 HydrophobicContact CB-CB 4.1Å; D27-L32 PolarHBondContact N-O 3.46Å; D27-L32 VanDerWaalsContact N-O 3.1Å; D27-L32 PolarHBondContact O-N 3.35Å; D27-L32 WeakPolarHBondContact OD2-CD2 3.49Å; P30-L32 PolarHBondContact O-N 3Å; P30-L32 VanDerWaalsContact O-N 3.17Å; L32-E34 HydrophobicContact CD1-CG 3.91Å; L32-E34 HydrophobicContact CD2-CG 3.94Å; L32-E34 HydrophobicContact CG-CG 3.78Å
33	F	90.3	Very high	89.6	Confident	40 Å²	40	50.5 Å²	50.5	18%	0.175	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	129.3	167.8	-171.5	-107.8	0	0	0	109	R25 F26 P35 F83 I86	R25-F33 CarbonylContact O-C 3.51Å; R25-F33 WeakPolarHBondContact O-CA 3.22Å; F26-F33 HydrophobicContact CB-CD2 4.32Å; F33-P35 HydrophobicContact CD1-CG 4.42Å; F33-P35 HydrophobicContact CE1-CB 4.02Å; F33-P35 HydrophobicContact CE1-CG 4.1Å; F33-P35 HydrophobicContact CZ-CB 4.48Å; F33-F83 HydrophobicContact CE2-CD1 4.05Å; F33-F83 HydrophobicContact CE2-CD2 4.25Å; F33-F83 AromaticContact CE2-CE1 3.75Å; F33-F83 HydrophobicContact CE2-CE1 3.75Å; F33-F83 AromaticContact CE2-CE2 3.96Å; F33-F83 HydrophobicContact CE2-CE2 3.96Å; F33-F83 HydrophobicContact CE2-CG 4.28Å; F33-F83 AromaticContact CE2-CZ 3.69Å; F33-F83 HydrophobicContact CE2-CZ 3.69Å; F33-F83 HydrophobicContact CZ-CD1 4.26Å; F33-F83 HydrophobicContact CZ-CE1 4.22Å; F33-I86 HydrophobicContact CZ-CD1 4Å; F33-I86 HydrophobicContact CZ-CG1 4.43Å
34	E	91.1	Very high	89.4	Confident	5 Å²	5	52.3 Å²	52.3	2%	0.023	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	91.6	-179.1	-45.1	-165.4	124.7	0	0	109.1	R25 L32 C37 K55	R25-E34 HydrophobicContact CB-CB 4.29Å; R25-E34 IonicContact CZ-OE2 3.73Å; R25-E34 PolarHBondContact N-O 3.33Å; R25-E34 IonicContact NE-OE2 3.34Å; R25-E34 IonicContact NH1-OE2 3.02Å; R25-E34 PolarHBondContact NH1-OE2 3.11Å; R25-E34 PolarHBondContact O-N 3.2Å; L32-E34 HydrophobicContact CD1-CG 3.91Å; L32-E34 HydrophobicContact CD2-CG 3.94Å; L32-E34 HydrophobicContact CG-CG 3.78Å; E34-C37 WeakPolarHBondContact CB-SG 3.32Å; E34-C37 PolarHBondContact O-SG 3.19Å; E34-C37 VanDerWaalsContact O-SG 3.41Å; E34-K55 WeakPolarHBondContact OE1-CD 3.33Å; E34-K55 WeakPolarHBondContact OE1-CE 3.44Å; E34-K55 IonicContact OE1-NZ 2.69Å; E34-K55 PolarHBondContact OE1-NZ 3.03Å
35	P	90.4	Very high	89.3	Confident	52 Å²	52	52.4 Å²	52.4	34%	0.338	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	152.8	178.8	30.8	-34.5	0	0	0	111.4	D24 F33 C37	D24-P35 WeakPolarHBondContact OD1-CA 3.45Å; F33-P35 HydrophobicContact CD1-CG 4.42Å; F33-P35 HydrophobicContact CE1-CB 4.02Å; F33-P35 HydrophobicContact CE1-CG 4.1Å; F33-P35 HydrophobicContact CZ-CB 4.48Å; P35-C37 VanDerWaalsContact C-N 3.32Å; P35-C37 PolarHBondContact O-N 3.33Å
36	N	89.6	Confident	89.3	Confident	113 Å²	113	51.5 Å²	51.5	60%	0.604	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	50.5	42.7	177.2	-66.6	-70.7	0	0	0	115.2	S22 F23 D24 Q38	S22-N36 WeakPolarHBondContact OG-CA 3.46Å; S22-N36 PolarHBondContact OG-OD1 3.48Å; F23-N36 PolarHBondContact O-N 2.9Å; D24-N36 PolarHBondContact OD1-N 3.17Å; N36-Q38 PolarHBondContact O-N 3.45Å
37	C	92.6	Very high	89.4	Confident	4 Å²	4	51.4 Å²	51.4	3%	0.027	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	114.1	166.3	-71.3	0	0	0	0	110.1	F23 E34 P35 M39 S52	F23-C37 PolarHBondContact N-O 2.8Å; F23-C37 WeakPolarHBondContact O-CA 3.4Å; F23-C37 WeakPolarHBondContact O-CB 3.35Å; F23-C37 PolarHBondContact O-N 3.46Å; E34-C37 WeakPolarHBondContact CB-SG 3.32Å; E34-C37 PolarHBondContact O-SG 3.19Å; E34-C37 VanDerWaalsContact O-SG 3.41Å; P35-C37 VanDerWaalsContact C-N 3.32Å; P35-C37 PolarHBondContact O-N 3.33Å; C37-M39 PolarHBondContact O-N 2.79Å; C37-S52 PolarHBondContact SG-OG 3.2Å
38	Q	93.6	Very high	89.8	Confident	76 Å²	76	50.3 Å²	50.3	36%	0.355	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	119	170.1	-139	-72	-21.1	0	0	108.4	A21 N36 K40 W50 K51	A21-Q38 WeakPolarHBondContact O-CA 3.17Å; N36-Q38 PolarHBondContact O-N 3.45Å; Q38-K40 VanDerWaalsContact OE1-CE 3.3Å; Q38-W50 VanDerWaalsContact O-CA 3.23Å; Q38-W50 WeakPolarHBondContact O-CA 3.46Å; Q38-K51 PolarHBondContact N-O 2.76Å; Q38-K51 VanDerWaalsContact N-O 3.09Å; Q38-K51 PolarHBondContact O-N 3.24Å; Q38-K51 VanDerWaalsContact O-N 3.11Å
39	M	93.9	Very high	90.6	Very high	5 Å²	5	46.7 Å²	46.7	3%	0.025	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	136.5	-175.5	-167.3	-173.4	86.6	0	0	112.2	G20 A21 F23 C37 I48 T49 W50 M114 W125	G20-M39 CarbonylContact C-O 3.58Å; G20-M39 WeakPolarHBondContact CA-O 3.45Å; A21-M39 PolarHBondContact N-O 2.86Å; A21-M39 VanDerWaalsContact N-O 3.08Å; A21-M39 PolarHBondContact O-N 3.1Å; F23-M39 HydrophobicContact CD2-CB 3.89Å; F23-M39 HydrophobicContact CE2-CB 4.15Å; F23-M39 HydrophobicContact CE2-CE 4.04Å; C37-M39 PolarHBondContact O-N 2.79Å; M39-I48 HydrophobicContact CE-CG2 3.88Å; M39-I48 HydrophobicContact CG-CG2 3.63Å; M39-I48 HydrophobicContact SD-CG2 3.32Å; M39-I48 WeakPolarHBondContact SD-CG2 3.26Å; M39-T49 CarbonylContact C-O 3.53Å; M39-T49 VanDerWaalsContact CA-O 3.28Å; M39-T49 WeakPolarHBondContact CA-O 3.22Å; M39-T49 VanDerWaalsContact CG-O 3.25Å; M39-T49 WeakPolarHBondContact CG-O 3.48Å; M39-W50 HydrophobicContact CB-CB 4.15Å; M39-W50 HydrophobicContact CG-CB 4.11Å; M39-M114 HydrophobicContact CE-CE 3.53Å; M39-M114 HydrophobicContact CE-SD 4.28Å; M39-M114 HydrophobicContact SD-CE 3.31Å; M39-M114 WeakPolarHBondContact SD-CE 3.33Å; M39-M114 HydrophobicContact SD-SD 3.61Å; M39-M114 VanDerWaalsContact SD-SD 3.61Å; M39-W125 HydrophobicContact CE-CD2 4.5Å; M39-W125 HydrophobicContact CE-CE3 3.56Å; M39-W125 HydrophobicContact CE-CH2 4.01Å; M39-W125 HydrophobicContact CE-CZ3 3.27Å
40	K	95	Very high	91.5	Very high	80 Å²	80	40.2 Å²	40.2	35%	0.348	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	152.3	-179.8	-71.3	164	173.6	-76.3	0	111.5	M17 Q18 E19 Q38 T49	M17-K40 CarbonylContact O-C 3.58Å; M17-K40 WeakPolarHBondContact O-CA 3.45Å; Q18-K40 PolarHBondContact O-NZ 3.18Å; E19-K40 VanDerWaalsContact C-NZ 3.34Å; E19-K40 WeakPolarHBondContact O-CE 3.27Å; E19-K40 PolarHBondContact O-NZ 3.32Å; Q38-K40 VanDerWaalsContact OE1-CE 3.3Å; K40-T49 PolarHBondContact N-O 3.01Å; K40-T49 PolarHBondContact O-N 3.47Å; K40-T49 PolarHBondContact O-OG1 3Å
41	V	94.8	Very high	92	Very high	5 Å²	5	38.1 Å²	38.1	3%	0.03	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	138.3	166.8	-177.9	0	0	0	0	108.9	L13 M17 F47 I48 W125 L129	L13-V41 HydrophobicContact CD1-CB 4.31Å; L13-V41 HydrophobicContact CD1-CG1 3.92Å; L13-V41 HydrophobicContact CD2-CB 4.11Å; L13-V41 HydrophobicContact CD2-CG1 3.81Å; M17-V41 HydrophobicContact CB-CB 4.31Å; M17-V41 HydrophobicContact CB-CG2 4.44Å; M17-V41 HydrophobicContact CE-CB 4.42Å; M17-V41 HydrophobicContact CE-CG2 3.86Å; M17-V41 PolarHBondContact O-N 2.99Å; V41-F47 WeakPolarHBondContact CA-O 3.38Å; V41-I48 HydrophobicContact CG2-CG1 4.26Å; V41-W125 HydrophobicContact CG2-CZ3 4.29Å; V41-L129 HydrophobicContact CG2-CD2 3.82Å
42	D	93.4	Very high	92.2	Very high	10 Å²	10	33.9 Å²	33.9	5%	0.053	17%	0.168	C	C	.	.			trans	-72.2	158.9	-178.8	81	-84.9	0	0	0	113.1	L13 Y44 G45 F46 F47 M152 F156	L13-D42 WeakPolarHBondContact CD2-O 3.31Å; D42-Y44 PolarHBondContact O-N 2.96Å; D42-Y44 WeakPolarHBondContact OD2-CB 3.38Å; D42-Y44 PolarHBondContact OD2-N 3.09Å; D42-G45 PolarHBondContact O-N 3.05Å; D42-F46 WeakPolarHBondContact OD1-CA 3.42Å; D42-F46 PolarHBondContact OD1-N 3.2Å; D42-F47 PolarHBondContact N-O 3.41Å; D42-F47 PolarHBondContact OD1-N 3.48Å; D42-M152 HydrophobicContact CB-CE 3.73Å; D42-M152 WeakPolarHBondContact OD2-CE 3.41Å; D42-F156 HydrophobicContact CB-CE2 3.98Å; D42-F156 HydrophobicContact CB-CZ 3.79Å
43	E	91	Very high	92.2	Very high	108 Å²	108	41 Å²	41	51%	0.505	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-21.4	-177.6	51.4	169	-170.6	0	0	116.1	K148 M152	E43-K148 IonicContact OE1-NZ 3.38Å; E43-M152 HydrophobicContact CG-CE 4.43Å
44	Y	90.7	Very high	92	Very high	42 Å²	42	41.8 Å²	41.8	17%	0.165	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-6.3	176.7	-54.2	-63.6	0	0	0	114.6	W9 Q10 D42 F46 K148 M152	W9-Y44 AromaticContact CH2-CD1 3.75Å; W9-Y44 HydrophobicContact CH2-CD1 3.75Å; W9-Y44 AromaticContact CH2-CG 3.91Å; W9-Y44 HydrophobicContact CH2-CG 3.91Å; W9-Y44 HydrophobicContact CZ3-CD1 4.43Å; W9-Y44 HydrophobicContact CZ3-CG 4.46Å; Q10-Y44 HydrophobicContact CG-CD1 4.45Å; D42-Y44 PolarHBondContact O-N 2.96Å; D42-Y44 WeakPolarHBondContact OD2-CB 3.38Å; D42-Y44 PolarHBondContact OD2-N 3.09Å; Y44-F46 VanDerWaalsContact C-N 3.33Å; Y44-F46 HydrophobicContact CD2-CD2 4.13Å; Y44-F46 AromaticContact CD2-CE2 3.98Å; Y44-F46 HydrophobicContact CD2-CE2 3.98Å; Y44-F46 HydrophobicContact CG-CD2 4.25Å; Y44-F46 AromaticContact CG-CE2 3.97Å; Y44-F46 HydrophobicContact CG-CE2 3.97Å; Y44-K148 HydrophobicContact CE2-CD 4.46Å; Y44-K148 VanDerWaalsContact CE2-NZ 3.31Å; Y44-K148 PolarHBondContact OH-NZ 2.99Å; Y44-M152 HydrophobicContact CD2-CE 3.79Å; Y44-M152 HydrophobicContact CD2-SD 3.72Å; Y44-M152 HydrophobicContact CE2-CE 4.02Å; Y44-M152 HydrophobicContact CE2-SD 3.83Å
45	G	91.6	Very high	92	Very high	10 Å²	10	44.8 Å²	44.8	10%	0.103	23%	0.233	C	C	.	.	S	Bend	trans	68.3	28	-174.5	0	0	0	0	0	114.1	D42 C62	D42-G45 PolarHBondContact O-N 3.05Å; G45-C62 VanDerWaalsContact O-CB 3.26Å; G45-C62 WeakPolarHBondContact O-CB 3.5Å; G45-C62 PolarHBondContact O-SG 3.13Å
46	F	92.4	Very high	92.1	Very high	7 Å²	7	48.2 Å²	48.2	3%	0.031	25%	0.245	C	C	.	.			trans	-78.6	-29.3	174.8	-69.6	-40.8	0	0	0	113.1	W9 D42 Y44 C62 A138 T145 K149	W9-F46 HydrophobicContact CE3-CE1 4.28Å; W9-F46 HydrophobicContact CE3-CZ 4.38Å; W9-F46 AromaticContact CH2-CE1 3.95Å; W9-F46 HydrophobicContact CH2-CE1 3.95Å; W9-F46 AromaticContact CH2-CE2 3.94Å; W9-F46 HydrophobicContact CH2-CE2 3.94Å; W9-F46 AromaticContact CH2-CZ 3.29Å; W9-F46 HydrophobicContact CH2-CZ 3.29Å; W9-F46 HydrophobicContact CZ2-CZ 4.14Å; W9-F46 AromaticContact CZ3-CE1 3.57Å; W9-F46 HydrophobicContact CZ3-CE1 3.57Å; W9-F46 HydrophobicContact CZ3-CE2 4.31Å; W9-F46 AromaticContact CZ3-CZ 3.43Å; W9-F46 HydrophobicContact CZ3-CZ 3.43Å; W9-F46 VanDerWaalsContact CZ3-CZ 3.43Å; D42-F46 WeakPolarHBondContact OD1-CA 3.42Å; D42-F46 PolarHBondContact OD1-N 3.2Å; Y44-F46 VanDerWaalsContact C-N 3.33Å; Y44-F46 HydrophobicContact CD2-CD2 4.13Å; Y44-F46 AromaticContact CD2-CE2 3.98Å; Y44-F46 HydrophobicContact CD2-CE2 3.98Å; Y44-F46 HydrophobicContact CG-CD2 4.25Å; Y44-F46 AromaticContact CG-CE2 3.97Å; Y44-F46 HydrophobicContact CG-CE2 3.97Å; F46-C62 PolarHBondContact O-N 3.03Å; F46-A138 HydrophobicContact CE1-CB 4.5Å; F46-T145 HydrophobicContact CE2-CG2 4.28Å; F46-T145 HydrophobicContact CZ-CG2 3.71Å; F46-K149 HydrophobicContact CB-CD 4.29Å; F46-K149 HydrophobicContact CB-CG 4.17Å; F46-K149 HydrophobicContact CD1-CD 3.9Å; F46-K149 HydrophobicContact CD1-CG 4.41Å; F46-K149 HydrophobicContact CD2-CB 4.07Å; F46-K149 HydrophobicContact CD2-CD 4.31Å; F46-K149 HydrophobicContact CD2-CG 3.94Å; F46-K149 HydrophobicContact CE1-CD 4.24Å; F46-K149 HydrophobicContact CE2-CB 4.1Å; F46-K149 HydrophobicContact CE2-CG 4.39Å; F46-K149 HydrophobicContact CG-CD 3.93Å; F46-K149 HydrophobicContact CG-CG 3.95Å
47	F	94.3	Very high	92.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	134.5	-166.6	-64.6	-66.3	0	0	0	112.7	V41 D42 T49 V59 L60 E61 K149 M152 R153 F156	V41-F47 WeakPolarHBondContact CA-O 3.38Å; D42-F47 PolarHBondContact N-O 3.41Å; D42-F47 PolarHBondContact OD1-N 3.48Å; F47-T49 HydrophobicContact CB-CG2 4.17Å; F47-V59 HydrophobicContact CB-CG2 3.64Å; F47-V59 HydrophobicContact CD1-CG2 3.4Å; F47-V59 VanDerWaalsContact CD1-CG2 3.4Å; F47-V59 HydrophobicContact CE1-CG2 4.25Å; F47-V59 HydrophobicContact CG-CG2 3.69Å; F47-L60 CarbonylContact C-O 3.55Å; F47-L60 WeakPolarHBondContact CA-O 3.43Å; F47-E61 HydrophobicContact CD1-CB 4.07Å; F47-E61 HydrophobicContact CD1-CG 4.08Å; F47-E61 HydrophobicContact CE1-CB 3.91Å; F47-E61 HydrophobicContact CE1-CG 3.63Å; F47-E61 HydrophobicContact CZ-CG 4.44Å; F47-K149 HydrophobicContact CE2-CG 3.58Å; F47-K149 VanDerWaalsContact CE2-O 3.26Å; F47-K149 WeakPolarHBondContact CE2-O 3.24Å; F47-K149 HydrophobicContact CZ-CD 4.4Å; F47-K149 HydrophobicContact CZ-CG 3.56Å; F47-K149 WeakPolarHBondContact CZ-O 3.48Å; F47-M152 HydrophobicContact CE2-CB 4.33Å; F47-R153 HydrophobicContact CE1-CB 4.17Å; F47-R153 HydrophobicContact CE1-CG 4.01Å; F47-R153 HydrophobicContact CE2-CB 4.13Å; F47-R153 HydrophobicContact CZ-CB 3.65Å; F47-R153 HydrophobicContact CZ-CG 4.01Å; F47-F156 HydrophobicContact CB-CD2 4.33Å; F47-F156 HydrophobicContact CB-CE2 4.22Å; F47-F156 HydrophobicContact CD2-CD2 4.18Å; F47-F156 AromaticContact CD2-CE2 3.9Å; F47-F156 HydrophobicContact CD2-CE2 3.9Å; F47-F156 HydrophobicContact CG-CD2 4.38Å; F47-F156 HydrophobicContact CG-CE2 4.37Å
48	I	94.8	Very high	92.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	129.5	155.2	-52.3	-177.7	0	0	0	106.9	M39 V41 W50 V59 L60 I65 I100 L129	M39-I48 HydrophobicContact CE-CG2 3.88Å; M39-I48 HydrophobicContact CG-CG2 3.63Å; M39-I48 HydrophobicContact SD-CG2 3.32Å; M39-I48 WeakPolarHBondContact SD-CG2 3.26Å; V41-I48 HydrophobicContact CG2-CG1 4.26Å; I48-W50 HydrophobicContact CG2-CE3 4.37Å; I48-V59 CarbonylContact O-C 3.46Å; I48-V59 WeakPolarHBondContact O-CA 3.49Å; I48-V59 WeakPolarHBondContact O-CG2 3.39Å; I48-L60 HydrophobicContact CB-CB 4.43Å; I48-L60 PolarHBondContact N-O 3.26Å; I48-L60 PolarHBondContact O-N 3.2Å; I48-I65 HydrophobicContact CD1-CD1 3.45Å; I48-I65 VanDerWaalsContact CD1-CD1 3.45Å; I48-I65 HydrophobicContact CG1-CD1 4.11Å; I48-I100 HydrophobicContact CD1-CD1 3.87Å; I48-L129 HydrophobicContact CD1-CD2 3.76Å; I48-L129 HydrophobicContact CG1-CD2 4.15Å
49	T	95	Very high	92.3	Very high	19 Å²	19	43.1 Å²	43.1	12%	0.117	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	140.8	-177.9	60.8	0	0	0	0	109.5	M39 K40 F47 Q58 V59 F156	M39-T49 CarbonylContact C-O 3.53Å; M39-T49 VanDerWaalsContact CA-O 3.28Å; M39-T49 WeakPolarHBondContact CA-O 3.22Å; M39-T49 VanDerWaalsContact CG-O 3.25Å; M39-T49 WeakPolarHBondContact CG-O 3.48Å; K40-T49 PolarHBondContact N-O 3.01Å; K40-T49 PolarHBondContact O-N 3.47Å; K40-T49 PolarHBondContact O-OG1 3Å; F47-T49 HydrophobicContact CB-CG2 4.17Å; T49-Q58 WeakPolarHBondContact CA-O 3.32Å; T49-V59 HydrophobicContact CG2-CG2 3.97Å; T49-F156 HydrophobicContact CG2-CB 3.85Å; T49-F156 HydrophobicContact CG2-CD1 4.01Å; T49-F156 HydrophobicContact CG2-CD2 3.41Å; T49-F156 VanDerWaalsContact CG2-CD2 3.41Å; T49-F156 HydrophobicContact CG2-CE1 4.42Å; T49-F156 HydrophobicContact CG2-CE2 3.87Å; T49-F156 HydrophobicContact CG2-CG 3.49Å; T49-F156 VanDerWaalsContact CG2-CG 3.49Å; T49-F156 HydrophobicContact CG2-CZ 4.36Å
50	W	94	Very high	92.3	Very high	20 Å²	20	44 Å²	44	8%	0.076	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	157	173.4	64.2	103.6	0	0	0	112.6	Q38 M39 I48 Q58 L60 M112	Q38-W50 VanDerWaalsContact O-CA 3.23Å; Q38-W50 WeakPolarHBondContact O-CA 3.46Å; M39-W50 HydrophobicContact CB-CB 4.15Å; M39-W50 HydrophobicContact CG-CB 4.11Å; I48-W50 HydrophobicContact CG2-CE3 4.37Å; W50-Q58 HydrophobicContact CD2-CB 3.94Å; W50-Q58 HydrophobicContact CG-CB 4.43Å; W50-Q58 HydrophobicContact CH2-CB 4.03Å; W50-Q58 HydrophobicContact CZ2-CB 3.42Å; W50-Q58 VanDerWaalsContact CZ2-CB 3.42Å; W50-Q58 HydrophobicContact CZ2-CG 4.37Å; W50-Q58 VanDerWaalsContact CZ2-OE1 3.27Å; W50-Q58 PolarHBondContact N-O 3.34Å; W50-Q58 VanDerWaalsContact NE1-OE1 3.13Å; W50-Q58 PolarHBondContact O-N 3.2Å; W50-L60 HydrophobicContact CH2-CB 3.92Å; W50-L60 HydrophobicContact CZ3-CB 3.68Å; W50-M112 HydrophobicContact CH2-CE 3.45Å; W50-M112 VanDerWaalsContact CH2-CE 3.45Å; W50-M112 HydrophobicContact CH2-SD 4.5Å; W50-M112 HydrophobicContact CZ2-CE 3.6Å; W50-M112 HydrophobicContact CZ3-CE 4.11Å
51	K	91.4	Very high	92.2	Very high	62 Å²	62	40.8 Å²	40.8	27%	0.27	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	132.7	171	-176	166.9	174.3	164.7	0	110.6	Q38 K55 N159 V160	Q38-K51 PolarHBondContact N-O 2.76Å; Q38-K51 VanDerWaalsContact N-O 3.09Å; Q38-K51 PolarHBondContact O-N 3.24Å; Q38-K51 VanDerWaalsContact O-N 3.11Å; K51-K55 WeakPolarHBondContact CE-O 3.41Å; K51-N159 PolarHBondContact NZ-O 2.84Å; K51-V160 PolarHBondContact NZ-O 2.82Å
52	S	90.3	Very high	92.1	Very high	9 Å²	9	41 Å²	41	6%	0.063	21%	0.212	C	C	.	.			trans	-99.6	160.1	171.2	-12.7	0	0	0	0	110.1	C37 G54 K55	C37-S52 PolarHBondContact SG-OG 3.2Å; S52-G54 PolarHBondContact O-N 3.43Å; S52-K55 PolarHBondContact O-N 2.94Å
53	E	86.4	Confident	91.9	Very high	194 Å²	194	41.5 Å²	41.5	91%	0.907	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	137.2	174.4	-170.6	171.6	-169.9	0	0	111.3	K55	E53-K55 PolarHBondContact O-N 2.85Å; E53-K55 VanDerWaalsContact O-N 3.14Å
54	G	86.5	Confident	91.9	Very high	57 Å²	57	38.3 Å²	38.3	59%	0.588	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.1	-0.4	-179.1	0	0	0	0	0	116.3	S52	S52-G54 PolarHBondContact O-N 3.43Å
55	K	90.4	Very high	91.9	Very high	68 Å²	68	36.7 Å²	36.7	30%	0.296	20%	0.197	S	C	.	.	S	Bend	trans	-107.8	163.1	-177.6	-65.1	-167.8	174.5	-177.1	0	113.4	E34 K51 S52 E53	E34-K55 WeakPolarHBondContact OE1-CD 3.33Å; E34-K55 WeakPolarHBondContact OE1-CE 3.44Å; E34-K55 IonicContact OE1-NZ 2.69Å; E34-K55 PolarHBondContact OE1-NZ 3.03Å; K51-K55 WeakPolarHBondContact CE-O 3.41Å; S52-K55 PolarHBondContact O-N 2.94Å; E53-K55 PolarHBondContact O-N 2.85Å; E53-K55 VanDerWaalsContact O-N 3.14Å
56	E	92.4	Very high	91.9	Very high	124 Å²	124	37.3 Å²	37.3	58%	0.579	20%	0.197	S	C	*	.			trans	-71.9	154.5	170.6	-60.9	-167.8	144.4	0	0	110.7	T158 V160	E56-T158 CarbonylContact C-O 3.59Å; E56-T158 WeakPolarHBondContact CA-O 3.46Å; E56-T158 WeakPolarHBondContact CB-O 3.4Å; E56-V160 HydrophobicContact CG-CG2 4.21Å
57	G	92.8	Very high	91.9	Very high	5 Å²	5	37.4 Å²	37.4	5%	0.052	20%	0.199	C	C	.	.			trans	-69.6	129.1	174.5	0	0	0	0	0	111.2	T158	G57-T158 PolarHBondContact N-O 2.92Å
58	Q	92.9	Very high	91.9	Very high	63 Å²	63	37.7 Å²	37.7	29%	0.294	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	157.3	-177.5	-65.7	-176.4	14.8	0	0	111.3	T49 W50	T49-Q58 WeakPolarHBondContact CA-O 3.32Å; W50-Q58 HydrophobicContact CD2-CB 3.94Å; W50-Q58 HydrophobicContact CG-CB 4.43Å; W50-Q58 HydrophobicContact CH2-CB 4.03Å; W50-Q58 HydrophobicContact CZ2-CB 3.42Å; W50-Q58 VanDerWaalsContact CZ2-CB 3.42Å; W50-Q58 HydrophobicContact CZ2-CG 4.37Å; W50-Q58 VanDerWaalsContact CZ2-OE1 3.27Å; W50-Q58 PolarHBondContact N-O 3.34Å; W50-Q58 VanDerWaalsContact NE1-OE1 3.13Å; W50-Q58 PolarHBondContact O-N 3.2Å
59	V	94.7	Very high	91.7	Very high	18 Å²	18	40 Å²	40	11%	0.109	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	133.6	-173.8	66.9	0	0	0	0	112.2	F47 I48 T49 R153 F156 L157	F47-V59 HydrophobicContact CB-CG2 3.64Å; F47-V59 HydrophobicContact CD1-CG2 3.4Å; F47-V59 VanDerWaalsContact CD1-CG2 3.4Å; F47-V59 HydrophobicContact CE1-CG2 4.25Å; F47-V59 HydrophobicContact CG-CG2 3.69Å; I48-V59 CarbonylContact O-C 3.46Å; I48-V59 WeakPolarHBondContact O-CA 3.49Å; I48-V59 WeakPolarHBondContact O-CG2 3.39Å; T49-V59 HydrophobicContact CG2-CG2 3.97Å; V59-R153 HydrophobicContact CG1-CG 4.01Å; V59-F156 HydrophobicContact CB-CB 4.48Å; V59-F156 HydrophobicContact CG2-CD2 4.38Å; V59-L157 HydrophobicContact CG1-CD1 4.37Å; V59-L157 HydrophobicContact CG1-CD2 3.82Å; V59-L157 HydrophobicContact CG1-CG 3.88Å
60	L	93.9	Very high	91.6	Very high	23 Å²	23	43.3 Å²	43.3	12%	0.12	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	133.7	173	177.4	61	0	0	0	108.4	F47 I48 W50 I65 I100 M112	F47-L60 CarbonylContact C-O 3.55Å; F47-L60 WeakPolarHBondContact CA-O 3.43Å; I48-L60 HydrophobicContact CB-CB 4.43Å; I48-L60 PolarHBondContact N-O 3.26Å; I48-L60 PolarHBondContact O-N 3.2Å; W50-L60 HydrophobicContact CH2-CB 3.92Å; W50-L60 HydrophobicContact CZ3-CB 3.68Å; L60-I65 HydrophobicContact CD2-CD1 3.88Å; L60-I65 HydrophobicContact CD2-CG1 3.98Å; L60-I65 HydrophobicContact CG-CD1 4.16Å; L60-I65 HydrophobicContact CG-CG1 4.14Å; L60-I100 HydrophobicContact CD2-CG2 3.85Å; L60-M112 HydrophobicContact CD2-CE 4.2Å
61	E	92.8	Very high	91.4	Very high	13 Å²	13	42.9 Å²	42.9	6%	0.061	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	119.2	-174.6	-167	168.2	140.1	0	0	110.2	F47 S63 L64 K149 R153 S856	F47-E61 HydrophobicContact CD1-CB 4.07Å; F47-E61 HydrophobicContact CD1-CG 4.08Å; F47-E61 HydrophobicContact CE1-CB 3.91Å; F47-E61 HydrophobicContact CE1-CG 3.63Å; F47-E61 HydrophobicContact CZ-CG 4.44Å; E61-S63 PolarHBondContact O-N 2.79Å; E61-S63 VanDerWaalsContact O-N 3.11Å; E61-S63 PolarHBondContact OE1-OG 2.68Å; E61-L64 HydrophobicContact CB-CD1 4.19Å; E61-L64 HydrophobicContact CB-CG 4.29Å; E61-L64 WeakPolarHBondContact O-CB 3.4Å; E61-L64 PolarHBondContact O-N 2.72Å; E61-K149 VanDerWaalsContact CD-CE 3.47Å; E61-K149 WeakPolarHBondContact OE1-CE 2.82Å; E61-K149 IonicContact OE1-NZ 3.39Å; E61-K149 PolarHBondContact OE1-NZ 3.3Å; E61-R153 IonicContact OE2-CZ 3.59Å; E61-R153 IonicContact OE2-NH1 2.75Å; E61-R153 PolarHBondContact OE2-NH1 3.42Å; E61-S856 PolarHBondContact OE1-OG 2.63Å
62	C	91.6	Very high	91.3	Very high	10 Å²	10	43.8 Å²	43.8	7%	0.068	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-60.5	-27.1	-171.9	-64.8	0	0	0	0	113.4	G45 F46 L64 I65	G45-C62 VanDerWaalsContact O-CB 3.26Å; G45-C62 WeakPolarHBondContact O-CB 3.5Å; G45-C62 PolarHBondContact O-SG 3.13Å; F46-C62 PolarHBondContact O-N 3.03Å; C62-L64 PolarHBondContact O-N 3.12Å; C62-I65 PolarHBondContact O-N 3.24Å
63	S	88.9	Confident	91.3	Very high	20 Å²	20	44.5 Å²	44.5	14%	0.14	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-72.9	-4.5	174.1	51.9	0	0	0	0	114.5	E61 N139 K149	E61-S63 PolarHBondContact O-N 2.79Å; E61-S63 VanDerWaalsContact O-N 3.11Å; E61-S63 PolarHBondContact OE1-OG 2.68Å; S63-N139 WeakPolarHBondContact CB-OD1 3.49Å; S63-K149 PolarHBondContact OG-NZ 3.13Å; S63-K149 VanDerWaalsContact OG-NZ 3.08Å
64	L	91.1	Very high	91.4	Very high	40 Å²	40	35.5 Å²	35.5	21%	0.209	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-107.6	4.2	171.3	-57.1	179.1	0	0	0	112.4	E61 C62 N66 S102 G103 N853	E61-L64 HydrophobicContact CB-CD1 4.19Å; E61-L64 HydrophobicContact CB-CG 4.29Å; E61-L64 WeakPolarHBondContact O-CB 3.4Å; E61-L64 PolarHBondContact O-N 2.72Å; C62-L64 PolarHBondContact O-N 3.12Å; L64-N66 PolarHBondContact O-OD1 2.7Å; L64-N66 VanDerWaalsContact O-OD1 3.09Å; L64-S102 CarbonylContact O-C 3.49Å; L64-S102 WeakPolarHBondContact O-CA 3.44Å; L64-S102 WeakPolarHBondContact O-CB 3.33Å; L64-G103 PolarHBondContact O-N 3.32Å; L64-N853 HydrophobicContact CD2-CB 4.17Å
65	I	92.5	Very high	91.4	Very high	9 Å²	9	41.6 Å²	41.6	5%	0.046	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	110.3	178	-58.3	177.1	0	0	0	109.2	I48 L60 C62 I68 I100 I133	I48-I65 HydrophobicContact CD1-CD1 3.45Å; I48-I65 VanDerWaalsContact CD1-CD1 3.45Å; I48-I65 HydrophobicContact CG1-CD1 4.11Å; L60-I65 HydrophobicContact CD2-CD1 3.88Å; L60-I65 HydrophobicContact CD2-CG1 3.98Å; L60-I65 HydrophobicContact CG-CD1 4.16Å; L60-I65 HydrophobicContact CG-CG1 4.14Å; C62-I65 PolarHBondContact O-N 3.24Å; I65-I68 HydrophobicContact CG2-CD1 3.99Å; I65-I68 HydrophobicContact CG2-CG1 3.7Å; I65-I100 HydrophobicContact CD1-CG2 4.03Å; I65-I100 HydrophobicContact CG1-CG2 4.19Å; I65-I100 HydrophobicContact CG2-CG2 3.81Å; I65-I133 HydrophobicContact CB-CG2 4.02Å; I65-I133 HydrophobicContact CG2-CG2 4Å
66	N	90.7	Very high	91.3	Very high	22 Å²	22	40.2 Å²	40.2	12%	0.118	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	-44.3	-178	-53.2	62	0	0	0	110.8	L64 C101 S102 G103 H134 Q348	L64-N66 PolarHBondContact O-OD1 2.7Å; L64-N66 VanDerWaalsContact O-OD1 3.09Å; N66-C101 PolarHBondContact N-O 3.35Å; N66-S102 VanDerWaalsContact OD1-C 3.29Å; N66-S102 VanDerWaalsContact OD1-CA 3.3Å; N66-S102 WeakPolarHBondContact OD1-CA 3.27Å; N66-G103 PolarHBondContact OD1-N 2.97Å; N66-H134 PolarHBondContact O-NE2 2.78Å; N66-Q348 VanDerWaalsContact CG-OE1 3.25Å; N66-Q348 PolarHBondContact ND2-OE1 2.91Å
67	S	92.3	Very high	91.1	Very high	10 Å²	10	38.7 Å²	38.7	7%	0.07	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	157.3	-178.8	62.9	0	0	0	0	113.4	R69 C101	S67-R69 PolarHBondContact OG-NE 3.28Å; S67-R69 PolarHBondContact OG-NH2 2.89Å; S67-C101 PolarHBondContact N-O 3.32Å; S67-C101 PolarHBondContact O-N 3.45Å
68	I	94	Very high	90.9	Very high	5 Å²	5	44.1 Å²	44.1	3%	0.026	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	130.8	177.4	-58.9	177.9	0	0	0	108.6	I65 I98 C99 I100 I126 L129 R130 I133	I65-I68 HydrophobicContact CG2-CD1 3.99Å; I65-I68 HydrophobicContact CG2-CG1 3.7Å; I68-I98 HydrophobicContact CG2-CG2 3.9Å; I68-C99 WeakPolarHBondContact CA-O 3.44Å; I68-I100 HydrophobicContact CG1-CG1 4.4Å; I68-I100 HydrophobicContact CG1-CG2 4.39Å; I68-I100 HydrophobicContact CG2-CG1 4.46Å; I68-I126 HydrophobicContact CG2-CG1 4.2Å; I68-I126 HydrophobicContact CG2-CG2 4.47Å; I68-L129 HydrophobicContact CD1-CB 3.37Å; I68-L129 HydrophobicContact CD1-CD1 4.16Å; I68-L129 HydrophobicContact CD1-CG 4.29Å; I68-R130 HydrophobicContact CB-CG 4.42Å; I68-R130 VanDerWaalsContact O-CZ 3.31Å; I68-R130 PolarHBondContact O-NE 3.11Å; I68-R130 PolarHBondContact O-NH2 2.99Å; I68-I133 HydrophobicContact CD1-CD1 4.21Å; I68-I133 HydrophobicContact CD1-CG2 4.07Å; I68-I133 HydrophobicContact CG1-CD1 4.17Å
69	R	91.8	Very high	90.7	Very high	50 Å²	50	41.2 Å²	41.2	19%	0.189	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	165	-170.7	-63.7	172.6	-132.1	-176.8	-0.7	110.8	S67 C99 E344	S67-R69 PolarHBondContact OG-NE 3.28Å; S67-R69 PolarHBondContact OG-NH2 2.89Å; R69-C99 HydrophobicContact CB-CB 4.47Å; R69-C99 PolarHBondContact N-O 3.01Å; R69-C99 PolarHBondContact O-N 3.15Å; R69-E344 IonicContact CZ-OE1 3.19Å; R69-E344 IonicContact CZ-OE2 2.64Å; R69-E344 IonicContact NH1-OE1 3.17Å; R69-E344 IonicContact NH1-OE2 2.62Å; R69-E344 PolarHBondContact NH1-OE2 3.07Å; R69-E344 VanDerWaalsContact NH2-CD 3.28Å; R69-E344 IonicContact NH2-OE1 3.36Å; R69-E344 PolarHBondContact NH2-OE1 3.04Å; R69-E344 IonicContact NH2-OE2 2.76Å; R69-E344 PolarHBondContact NH2-OE2 3.06Å
70	V	92.8	Very high	90.5	Very high	87 Å²	87	42.1 Å²	42.1	53%	0.527	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	132.3	156.3	-176.9	0	0	0	0	106.9	I97 I126	V70-I97 CarbonylContact C-O 3.6Å; V70-I97 WeakPolarHBondContact CA-O 3.44Å; V70-I126 HydrophobicContact CB-CD1 4.43Å; V70-I126 HydrophobicContact CG2-CD1 3.72Å
71	G	89.6	Confident	90.3	Very high	11 Å²	11	44 Å²	44	11%	0.113	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-83.3	154.2	174.4	0	0	0	0	0	111.8	I97	G71-I97 PolarHBondContact N-O 3.46Å
72	A	89.3	Confident	90.2	Very high	82 Å²	82	44.5 Å²	44.5	68%	0.678	25%	0.252	S	S	*	.	P	Polyproline II helix	trans	-77.3	152.1	167.4	0	0	0	0	0	110.3	I97	A72-I97 WeakPolarHBondContact O-CD1 3.38Å
73	V	89.4	Confident	90.2	Very high	24 Å²	24	44.1 Å²	44.1	15%	0.145	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-61	129.2	172.9	-178.7	0	0	0	0	109.6	E90 L93 E94 I97	V73-E90 HydrophobicContact CG1-CG 3.71Å; V73-L93 HydrophobicContact CG1-CB 4.22Å; V73-L93 HydrophobicContact CG1-CD1 4.15Å; V73-L93 HydrophobicContact CG2-CB 4.18Å; V73-E94 WeakPolarHBondContact CG2-OE2 3.45Å; V73-I97 HydrophobicContact CG2-CD1 4.48Å
74	P	88.9	Confident	90.2	Very high	4 Å²	4	49 Å²	49	3%	0.026	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-68.1	145	-174.3	27.2	-35.4	0	0	0	111.7	F26 I79 L80 L93	F26-P74 HydrophobicContact CE1-CG 4.28Å; F26-P74 HydrophobicContact CE2-CB 3.84Å; F26-P74 HydrophobicContact CE2-CG 4.2Å; F26-P74 HydrophobicContact CZ-CB 3.89Å; F26-P74 HydrophobicContact CZ-CG 3.82Å; P74-I79 HydrophobicContact CB-CB 4.36Å; P74-I79 HydrophobicContact CB-CD1 4.42Å; P74-I79 HydrophobicContact CB-CG2 3.89Å; P74-I79 HydrophobicContact CG-CB 4.48Å; P74-I79 HydrophobicContact CG-CG2 3.64Å; P74-L80 HydrophobicContact CG-CD2 4.48Å; P74-L93 HydrophobicContact CG-CD1 4.46Å
75	K	87.3	Confident	90.1	Very high	186 Å²	186	51.2 Å²	51.2	81%	0.809	29%	0.294	S	S	*	.			trans	-108	-4.1	-177.2	-63.5	-174	179.7	-178.8	0	114.7	P77	K75-P77 WeakPolarHBondContact O-CD 3.46Å
76	D	87.4	Confident	89.9	Confident	38 Å²	38	54.3 Å²	54.3	20%	0.203	31%	0.31	C	S	.	.			trans	-71.9	120.1	170.3	-172.5	-31.8	0	0	0	109.2	K78 I79 L80	D76-K78 PolarHBondContact O-N 3.28Å; D76-K78 VanDerWaalsContact O-N 3.1Å; D76-K78 WeakPolarHBondContact OD1-CB 3.49Å; D76-K78 VanDerWaalsContact OD1-CG 3.25Å; D76-K78 WeakPolarHBondContact OD1-CG 3.41Å; D76-K78 PolarHBondContact OD1-N 3.28Å; D76-K78 IonicContact OD1-NZ 3.21Å; D76-K78 IonicContact OD2-NZ 3.65Å; D76-K78 PolarHBondContact OD2-NZ 2.97Å; D76-I79 HydrophobicContact CB-CD1 4.06Å; D76-I79 HydrophobicContact CB-CG1 4.21Å; D76-I79 PolarHBondContact O-N 3.01Å; D76-L80 PolarHBondContact O-N 3.28Å
77	P	87.7	Confident	89.7	Confident	92 Å²	92	56.3 Å²	56.3	60%	0.597	34%	0.336	S	S	*	.	H	α-helix	trans	-54.4	-27.8	177.1	-27	36.3	0	0	0	114.6	K75 I79 S81	K75-P77 WeakPolarHBondContact O-CD 3.46Å; P77-I79 VanDerWaalsContact C-N 3.34Å; P77-S81 WeakPolarHBondContact O-CB 3.43Å; P77-S81 PolarHBondContact O-N 3.45Å; P77-S81 PolarHBondContact O-OG 3.18Å
78	K	89.5	Confident	89.5	Confident	120 Å²	120	58.3 Å²	58.3	52%	0.522	34%	0.343	S	S	.	.	H	α-helix	trans	-66.2	-37	177.1	-58.1	169	-154	129.8	0	112.3	Y31 D76 S82	Y31-K78 HydrophobicContact CD2-CB 4.16Å; Y31-K78 HydrophobicContact CD2-CD 4.21Å; Y31-K78 HydrophobicContact CE2-CB 3.57Å; Y31-K78 HydrophobicContact CE2-CD 4.35Å; Y31-K78 PolarHBondContact OH-O 3.43Å; D76-K78 PolarHBondContact O-N 3.28Å; D76-K78 VanDerWaalsContact O-N 3.1Å; D76-K78 WeakPolarHBondContact OD1-CB 3.49Å; D76-K78 VanDerWaalsContact OD1-CG 3.25Å; D76-K78 WeakPolarHBondContact OD1-CG 3.41Å; D76-K78 PolarHBondContact OD1-N 3.28Å; D76-K78 IonicContact OD1-NZ 3.21Å; D76-K78 IonicContact OD2-NZ 3.65Å; D76-K78 PolarHBondContact OD2-NZ 2.97Å; K78-S82 WeakPolarHBondContact O-CB 3.29Å; K78-S82 PolarHBondContact O-N 3.11Å; K78-S82 VanDerWaalsContact O-N 3.15Å; K78-S82 PolarHBondContact O-OG 3.35Å
79	I	89.4	Confident	89.2	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.005	36%	0.364	C	S	.	.	H	α-helix	trans	-73.8	-46.8	179.9	-62.5	174.3	0	0	0	108.4	F26 E28 Y31 P74 D76 P77 S81 S82 F83	F26-I79 HydrophobicContact CB-CG2 4.26Å; F26-I79 HydrophobicContact CD1-CG2 4.41Å; F26-I79 HydrophobicContact CD2-CD1 3.87Å; F26-I79 HydrophobicContact CD2-CG2 4.03Å; F26-I79 HydrophobicContact CE2-CD1 4.37Å; F26-I79 HydrophobicContact CE2-CG2 4.44Å; F26-I79 HydrophobicContact CG-CG2 3.99Å; E28-I79 HydrophobicContact CB-CD1 4.35Å; E28-I79 HydrophobicContact CG-CD1 3.76Å; Y31-I79 HydrophobicContact CD2-CG1 4.02Å; Y31-I79 HydrophobicContact CE2-CG1 3.72Å; P74-I79 HydrophobicContact CB-CB 4.36Å; P74-I79 HydrophobicContact CB-CD1 4.42Å; P74-I79 HydrophobicContact CB-CG2 3.89Å; P74-I79 HydrophobicContact CG-CB 4.48Å; P74-I79 HydrophobicContact CG-CG2 3.64Å; D76-I79 HydrophobicContact CB-CD1 4.06Å; D76-I79 HydrophobicContact CB-CG1 4.21Å; D76-I79 PolarHBondContact O-N 3.01Å; P77-I79 VanDerWaalsContact C-N 3.34Å; I79-S81 PolarHBondContact O-N 3.2Å; I79-S82 WeakPolarHBondContact O-CB 3.3Å; I79-S82 PolarHBondContact O-N 3.02Å; I79-F83 HydrophobicContact CG2-CD2 3.93Å; I79-F83 HydrophobicContact CG2-CE2 3.67Å; I79-F83 VanDerWaalsContact O-CD2 3.3Å; I79-F83 WeakPolarHBondContact O-CD2 3.16Å; I79-F83 PolarHBondContact O-N 3.47Å
80	L	89.3	Confident	88.9	Confident	37 Å²	37	65.4 Å²	65.4	19%	0.194	38%	0.383	C	S	.	.	H	α-helix	trans	-56.1	-50.6	174.5	-68.3	171.6	0	0	0	111.4	P74 D76 S82 F83 E84 E90 L93	P74-L80 HydrophobicContact CG-CD2 4.48Å; D76-L80 PolarHBondContact O-N 3.28Å; L80-S82 PolarHBondContact O-N 3.46Å; L80-F83 CarbonylContact O-C 3.57Å; L80-F83 WeakPolarHBondContact O-CA 3.48Å; L80-F83 WeakPolarHBondContact O-CB 3.19Å; L80-F83 PolarHBondContact O-N 3.48Å; L80-E84 WeakPolarHBondContact O-CG 3.48Å; L80-E84 PolarHBondContact O-N 3.37Å; L80-E90 HydrophobicContact CD2-CG 4.4Å; L80-L93 HydrophobicContact CD2-CD1 4.25Å
81	S	89.8	Confident	88.6	Confident	64 Å²	64	65.1 Å²	65.1	45%	0.448	39%	0.39	S	S	.	.	H	α-helix	trans	-67.6	-15.4	177.1	-66.9	0	0	0	0	115.2	P77 I79 E84 A85	P77-S81 WeakPolarHBondContact O-CB 3.43Å; P77-S81 PolarHBondContact O-N 3.45Å; P77-S81 PolarHBondContact O-OG 3.18Å; I79-S81 PolarHBondContact O-N 3.2Å; S81-E84 VanDerWaalsContact CA-OE2 3.24Å; S81-E84 WeakPolarHBondContact CA-OE2 3.45Å; S81-E84 WeakPolarHBondContact CB-OE2 3.18Å; S81-E84 PolarHBondContact OG-OE2 2.9Å; S81-A85 VanDerWaalsContact O-CB 3.29Å; S81-A85 WeakPolarHBondContact O-CB 3.38Å; S81-A85 PolarHBondContact O-N 3.34Å; S81-A85 VanDerWaalsContact O-N 3.12Å
82	S	91	Very high	88.5	Confident	23 Å²	23	68.7 Å²	68.7	16%	0.161	41%	0.406	C	S	.	.	H	α-helix	trans	-79.3	-33.1	169	-61.3	0	0	0	0	112.3	Y31 K78 I79 L80 I86	Y31-S82 PolarHBondContact OH-OG 3.24Å; K78-S82 WeakPolarHBondContact O-CB 3.29Å; K78-S82 PolarHBondContact O-N 3.11Å; K78-S82 VanDerWaalsContact O-N 3.15Å; K78-S82 PolarHBondContact O-OG 3.35Å; I79-S82 WeakPolarHBondContact O-CB 3.3Å; I79-S82 PolarHBondContact O-N 3.02Å; L80-S82 PolarHBondContact O-N 3.46Å; S82-I86 PolarHBondContact O-N 2.83Å
83	F	90.7	Very high	88.5	Confident	1 Å²	1	64.8 Å²	64.8	0%	0.004	37%	0.374	C	S	.	.	H	α-helix	trans	-70.4	-42.1	168.9	-76.9	-66.1	0	0	0	112	D24 F26 F33 I79 L80 A85 I86 G87 K88 L93 V115	D24-F83 HydrophobicContact CB-CE1 3.9Å; D24-F83 HydrophobicContact CB-CZ 4.45Å; F26-F83 AromaticContact CD1-CE2 3.84Å; F26-F83 HydrophobicContact CD1-CE2 3.84Å; F26-F83 AromaticContact CD1-CZ 3.83Å; F26-F83 HydrophobicContact CD1-CZ 3.83Å; F26-F83 HydrophobicContact CE1-CE2 4.19Å; F26-F83 HydrophobicContact CE1-CZ 4.31Å; F33-F83 HydrophobicContact CE2-CD1 4.05Å; F33-F83 HydrophobicContact CE2-CD2 4.25Å; F33-F83 AromaticContact CE2-CE1 3.75Å; F33-F83 HydrophobicContact CE2-CE1 3.75Å; F33-F83 AromaticContact CE2-CE2 3.96Å; F33-F83 HydrophobicContact CE2-CE2 3.96Å; F33-F83 HydrophobicContact CE2-CG 4.28Å; F33-F83 AromaticContact CE2-CZ 3.69Å; F33-F83 HydrophobicContact CE2-CZ 3.69Å; F33-F83 HydrophobicContact CZ-CD1 4.26Å; F33-F83 HydrophobicContact CZ-CE1 4.22Å; I79-F83 HydrophobicContact CG2-CD2 3.93Å; I79-F83 HydrophobicContact CG2-CE2 3.67Å; I79-F83 VanDerWaalsContact O-CD2 3.3Å; I79-F83 WeakPolarHBondContact O-CD2 3.16Å; I79-F83 PolarHBondContact O-N 3.47Å; L80-F83 CarbonylContact O-C 3.57Å; L80-F83 WeakPolarHBondContact O-CA 3.48Å; L80-F83 WeakPolarHBondContact O-CB 3.19Å; L80-F83 PolarHBondContact O-N 3.48Å; F83-A85 VanDerWaalsContact C-N 3.27Å; F83-A85 PolarHBondContact O-N 3.44Å; F83-I86 HydrophobicContact CD1-CD1 4.15Å; F83-I86 HydrophobicContact CD1-CG1 4.49Å; F83-I86 CarbonylContact O-C 3.55Å; F83-I86 VanDerWaalsContact O-CG1 3.24Å; F83-I86 WeakPolarHBondContact O-CG1 3.46Å; F83-I86 PolarHBondContact O-N 2.76Å; F83-I86 VanDerWaalsContact O-N 3.07Å; F83-G87 PolarHBondContact O-N 3.41Å; F83-G87 VanDerWaalsContact O-N 3.12Å; F83-K88 CarbonylContact C-O 3.45Å; F83-K88 VanDerWaalsContact C-O 3.26Å; F83-K88 HydrophobicContact CB-CB 4.22Å; F83-K88 HydrophobicContact CD1-CB 4.4Å; F83-K88 HydrophobicContact CD1-CD 4.09Å; F83-K88 PolarHBondContact O-N 2.93Å; F83-L93 HydrophobicContact CD1-CD2 3.9Å; F83-L93 HydrophobicContact CD2-CD1 3.92Å; F83-L93 HydrophobicContact CD2-CD2 4.32Å; F83-L93 HydrophobicContact CE1-CD2 4.09Å; F83-L93 HydrophobicContact CE2-CD1 4.39Å; F83-L93 HydrophobicContact CE2-CD2 4.49Å; F83-L93 HydrophobicContact CG-CD1 4.18Å; F83-L93 HydrophobicContact CG-CD2 4.04Å; F83-L93 HydrophobicContact CZ-CD2 4.39Å; F83-V115 HydrophobicContact CE1-CB 4.19Å; F83-V115 HydrophobicContact CE1-CG1 4.42Å; F83-V115 HydrophobicContact CE1-CG2 3.87Å; F83-V115 HydrophobicContact CE2-CG2 4.32Å; F83-V115 HydrophobicContact CZ-CB 4.23Å; F83-V115 HydrophobicContact CZ-CG2 3.42Å; F83-V115 VanDerWaalsContact CZ-CG2 3.42Å
84	E	89.9	Confident	88.6	Confident	124 Å²	124	70 Å²	70	58%	0.579	40%	0.397	S	S	*	.	H	α-helix	trans	-58.2	-40.6	173.2	-65.8	174.7	141.8	0	0	111.3	L80 S81 I86 G87 K88	L80-E84 WeakPolarHBondContact O-CG 3.48Å; L80-E84 PolarHBondContact O-N 3.37Å; S81-E84 VanDerWaalsContact CA-OE2 3.24Å; S81-E84 WeakPolarHBondContact CA-OE2 3.45Å; S81-E84 WeakPolarHBondContact CB-OE2 3.18Å; S81-E84 PolarHBondContact OG-OE2 2.9Å; E84-I86 PolarHBondContact O-N 3.09Å; E84-G87 PolarHBondContact O-N 2.61Å; E84-K88 WeakPolarHBondContact CA-O 3.18Å; E84-K88 PolarHBondContact N-O 2.72Å
85	A	89.6	Confident	88.8	Confident	86 Å²	86	71 Å²	71	71%	0.711	41%	0.408	S	S	*	.	H	α-helix	trans	-65.6	-20.7	177.7	0	0	0	0	0	114.3	S81 F83	S81-A85 VanDerWaalsContact O-CB 3.29Å; S81-A85 WeakPolarHBondContact O-CB 3.38Å; S81-A85 PolarHBondContact O-N 3.34Å; S81-A85 VanDerWaalsContact O-N 3.12Å; F83-A85 VanDerWaalsContact C-N 3.27Å; F83-A85 PolarHBondContact O-N 3.44Å
86	I	88.1	Confident	89.1	Confident	74 Å²	74	62.4 Å²	62.4	38%	0.379	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	10.2	169.5	65.6	164.2	0	0	0	113.1	D24 F33 S82 F83 E84 K88	D24-I86 WeakPolarHBondContact OD2-CD1 3.24Å; F33-I86 HydrophobicContact CZ-CD1 4Å; F33-I86 HydrophobicContact CZ-CG1 4.43Å; S82-I86 PolarHBondContact O-N 2.83Å; F83-I86 HydrophobicContact CD1-CD1 4.15Å; F83-I86 HydrophobicContact CD1-CG1 4.49Å; F83-I86 CarbonylContact O-C 3.55Å; F83-I86 VanDerWaalsContact O-CG1 3.24Å; F83-I86 WeakPolarHBondContact O-CG1 3.46Å; F83-I86 PolarHBondContact O-N 2.76Å; F83-I86 VanDerWaalsContact O-N 3.07Å; E84-I86 PolarHBondContact O-N 3.09Å; I86-K88 HydrophobicContact CD1-CD 4.25Å
87	G	86.3	Confident	89.5	Confident	64 Å²	64	60.6 Å²	60.6	66%	0.66	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.7	15.6	173.3	0	0	0	0	0	116.1	F83 E84	F83-G87 PolarHBondContact O-N 3.41Å; F83-G87 VanDerWaalsContact O-N 3.12Å; E84-G87 PolarHBondContact O-N 2.61Å
88	K	87.7	Confident	89.9	Confident	51 Å²	51	56.2 Å²	56.2	22%	0.222	33%	0.333	C	S	.	.			trans	-99.3	134.5	174	-67.8	-178	176.2	178.1	0	110.6	D24 F83 E84 I86	D24-K88 IonicContact OD2-NZ 2.82Å; D24-K88 PolarHBondContact OD2-NZ 2.85Å; F83-K88 CarbonylContact C-O 3.45Å; F83-K88 VanDerWaalsContact C-O 3.26Å; F83-K88 HydrophobicContact CB-CB 4.22Å; F83-K88 HydrophobicContact CD1-CB 4.4Å; F83-K88 HydrophobicContact CD1-CD 4.09Å; F83-K88 PolarHBondContact O-N 2.93Å; E84-K88 WeakPolarHBondContact CA-O 3.18Å; E84-K88 PolarHBondContact N-O 2.72Å; I86-K88 HydrophobicContact CD1-CD 4.25Å
89	T	87.3	Confident	90.1	Very high	76 Å²	76	51 Å²	51	47%	0.466	31%	0.312	S	S	.	.			trans	-94.5	166.9	174.1	73.7	0	0	0	0	111.5	A91 D92	T89-A91 PolarHBondContact O-N 2.68Å; T89-D92 WeakPolarHBondContact CA-OD2 3.33Å; T89-D92 VanDerWaalsContact CB-OD2 3.31Å; T89-D92 WeakPolarHBondContact CB-OD2 3.43Å; T89-D92 PolarHBondContact N-OD2 2.64Å; T89-D92 WeakPolarHBondContact O-CB 3.35Å; T89-D92 PolarHBondContact O-N 3.22Å; T89-D92 PolarHBondContact OG1-OD2 3.49Å
90	E	86.6	Confident	90.4	Very high	129 Å²	129	51 Å²	51	60%	0.603	31%	0.312	S	S	*	.	H	α-helix	trans	-52.5	-38.9	175	-167.3	-178.2	179.2	0	0	112.4	V73 L80 D92 L93	V73-E90 HydrophobicContact CG1-CG 3.71Å; L80-E90 HydrophobicContact CD2-CG 4.4Å; E90-D92 VanDerWaalsContact C-N 3.32Å; E90-D92 PolarHBondContact O-N 2.77Å; E90-L93 WeakPolarHBondContact O-CB 3.43Å; E90-L93 PolarHBondContact O-N 3.44Å
91	A	86.5	Confident	90.6	Very high	80 Å²	80	49.3 Å²	49.3	66%	0.661	30%	0.302	S	S	*	.	H	α-helix	trans	-69.5	-25	179.1	0	0	0	0	0	113.8	T89 L93	T89-A91 PolarHBondContact O-N 2.68Å; A91-L93 VanDerWaalsContact C-N 3.26Å; A91-L93 PolarHBondContact O-N 3.18Å
92	D	87.4	Confident	90.8	Very high	86 Å²	86	46.7 Å²	46.7	46%	0.46	29%	0.285	S	S	.	.	H	α-helix	trans	-79	-11.7	176.5	-54.9	-61.8	0	0	0	112.4	T89 E90 C96	T89-D92 WeakPolarHBondContact CA-OD2 3.33Å; T89-D92 VanDerWaalsContact CB-OD2 3.31Å; T89-D92 WeakPolarHBondContact CB-OD2 3.43Å; T89-D92 PolarHBondContact N-OD2 2.64Å; T89-D92 WeakPolarHBondContact O-CB 3.35Å; T89-D92 PolarHBondContact O-N 3.22Å; T89-D92 PolarHBondContact OG1-OD2 3.49Å; E90-D92 VanDerWaalsContact C-N 3.32Å; E90-D92 PolarHBondContact O-N 2.77Å; D92-C96 PolarHBondContact O-SG 3.03Å
93	L	89.3	Confident	90.8	Very high	0 Å²	0	46 Å²	46	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-88.6	-19.8	176.8	-56.1	179.8	0	0	0	112.6	V73 P74 L80 F83 E90 A91 G95 C96 I97 V115	V73-L93 HydrophobicContact CG1-CB 4.22Å; V73-L93 HydrophobicContact CG1-CD1 4.15Å; V73-L93 HydrophobicContact CG2-CB 4.18Å; P74-L93 HydrophobicContact CG-CD1 4.46Å; L80-L93 HydrophobicContact CD2-CD1 4.25Å; F83-L93 HydrophobicContact CD1-CD2 3.9Å; F83-L93 HydrophobicContact CD2-CD1 3.92Å; F83-L93 HydrophobicContact CD2-CD2 4.32Å; F83-L93 HydrophobicContact CE1-CD2 4.09Å; F83-L93 HydrophobicContact CE2-CD1 4.39Å; F83-L93 HydrophobicContact CE2-CD2 4.49Å; F83-L93 HydrophobicContact CG-CD1 4.18Å; F83-L93 HydrophobicContact CG-CD2 4.04Å; F83-L93 HydrophobicContact CZ-CD2 4.39Å; E90-L93 WeakPolarHBondContact O-CB 3.43Å; E90-L93 PolarHBondContact O-N 3.44Å; A91-L93 VanDerWaalsContact C-N 3.26Å; A91-L93 PolarHBondContact O-N 3.18Å; L93-G95 PolarHBondContact O-N 2.95Å; L93-G95 VanDerWaalsContact O-N 3.16Å; L93-C96 WeakPolarHBondContact O-CB 3.43Å; L93-C96 PolarHBondContact O-N 2.7Å; L93-I97 HydrophobicContact CB-CD1 4.32Å; L93-V115 HydrophobicContact CD2-CG1 3.7Å
94	E	91.7	Very high	90.5	Very high	135 Å²	135	49.4 Å²	49.4	63%	0.631	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	115	-173.9	-173.4	57.7	-146	0	0	111.5	V73 C96	V73-E94 WeakPolarHBondContact CG2-OE2 3.45Å; E94-C96 PolarHBondContact O-N 3.34Å
95	G	91.3	Very high	90.4	Very high	24 Å²	24	44.8 Å²	44.8	25%	0.247	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.2	-4.2	-175.3	0	0	0	0	0	116	L93 A122	L93-G95 PolarHBondContact O-N 2.95Å; L93-G95 VanDerWaalsContact O-N 3.16Å; G95-A122 WeakPolarHBondContact O-CB 3.22Å
96	C	94.8	Very high	90.4	Very high	5 Å²	5	41.7 Å²	41.7	3%	0.034	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-15	175.6	-69.9	0	0	0	0	113.5	D92 L93 E94 V115 A116 S118 P119 A122	D92-C96 PolarHBondContact O-SG 3.03Å; L93-C96 WeakPolarHBondContact O-CB 3.43Å; L93-C96 PolarHBondContact O-N 2.7Å; E94-C96 PolarHBondContact O-N 3.34Å; C96-V115 HydrophobicContact CB-CG1 3.98Å; C96-A116 PolarHBondContact O-N 3.02Å; C96-S118 VanDerWaalsContact SG-C 3.55Å; C96-P119 WeakPolarHBondContact SG-CD 3.21Å; C96-A122 WeakPolarHBondContact O-CB 3.44Å
97	I	95.4	Very high	90.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	128.8	-171.9	-51.1	-179.9	0	0	0	111.2	F26 V70 G71 A72 V73 L93 F113 M114 V115	F26-I97 HydrophobicContact CE1-CD1 4.44Å; F26-I97 HydrophobicContact CE1-CG2 4.41Å; F26-I97 HydrophobicContact CZ-CD1 4.46Å; V70-I97 CarbonylContact C-O 3.6Å; V70-I97 WeakPolarHBondContact CA-O 3.44Å; G71-I97 PolarHBondContact N-O 3.46Å; A72-I97 WeakPolarHBondContact O-CD1 3.38Å; V73-I97 HydrophobicContact CG2-CD1 4.48Å; L93-I97 HydrophobicContact CB-CD1 4.32Å; I97-F113 HydrophobicContact CG2-CB 4.43Å; I97-F113 HydrophobicContact CG2-CD1 4.33Å; I97-M114 CarbonylContact C-O 3.58Å; I97-M114 VanDerWaalsContact CA-O 3.3Å; I97-M114 WeakPolarHBondContact CA-O 3.49Å; I97-V115 HydrophobicContact CG1-CG2 4.13Å
98	I	95.8	Very high	90.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	124.7	167.5	-51	-178.2	0	0	0	108	F23 I68 I100 F113 M114 A122 W125 I126	F23-I98 HydrophobicContact CE1-CD1 3.86Å; F23-I98 HydrophobicContact CZ-CD1 4.4Å; I68-I98 HydrophobicContact CG2-CG2 3.9Å; I98-I100 HydrophobicContact CG2-CG1 4.04Å; I98-F113 WeakPolarHBondContact O-CA 3.33Å; I98-M114 HydrophobicContact CB-CB 4.37Å; I98-M114 HydrophobicContact CD1-CE 4.3Å; I98-M114 PolarHBondContact N-O 2.77Å; I98-M114 PolarHBondContact O-N 2.87Å; I98-A122 HydrophobicContact CG1-CB 4.21Å; I98-W125 HydrophobicContact CD1-CB 3.69Å; I98-I126 HydrophobicContact CB-CG1 4.35Å; I98-I126 HydrophobicContact CD1-CG1 4.3Å; I98-I126 HydrophobicContact CG1-CD1 4.1Å; I98-I126 HydrophobicContact CG1-CG1 3.95Å; I98-I126 HydrophobicContact CG2-CD1 4.46Å; I98-I126 HydrophobicContact CG2-CG1 3.85Å
99	C	94.8	Very high	90.9	Very high	12 Å²	12	42 Å²	42	8%	0.081	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	118.3	170.2	172.7	0	0	0	0	109.2	I68 R69 F113	I68-C99 WeakPolarHBondContact CA-O 3.44Å; R69-C99 HydrophobicContact CB-CB 4.47Å; R69-C99 PolarHBondContact N-O 3.01Å; R69-C99 PolarHBondContact O-N 3.15Å; C99-F113 HydrophobicContact CB-CD1 3.99Å; C99-F113 HydrophobicContact CB-CE1 3.95Å
100	I	94.6	Very high	91.1	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	120.3	174.6	-57.3	-178.7	0	0	0	108	I48 L60 I65 I68 I98 F111 M112 M114 L129	I48-I100 HydrophobicContact CD1-CD1 3.87Å; L60-I100 HydrophobicContact CD2-CG2 3.85Å; I65-I100 HydrophobicContact CD1-CG2 4.03Å; I65-I100 HydrophobicContact CG1-CG2 4.19Å; I65-I100 HydrophobicContact CG2-CG2 3.81Å; I68-I100 HydrophobicContact CG1-CG1 4.4Å; I68-I100 HydrophobicContact CG1-CG2 4.39Å; I68-I100 HydrophobicContact CG2-CG1 4.46Å; I98-I100 HydrophobicContact CG2-CG1 4.04Å; I100-F111 WeakPolarHBondContact O-CA 3.42Å; I100-M112 HydrophobicContact CB-CB 4.48Å; I100-M112 PolarHBondContact N-O 3.42Å; I100-M112 PolarHBondContact O-N 3.11Å; I100-M114 HydrophobicContact CD1-SD 3.71Å; I100-L129 HydrophobicContact CD1-CD1 4.41Å
101	C	93.8	Very high	91.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	122.9	177.4	172.9	0	0	0	0	109.2	N66 S67 F111 Q348	N66-C101 PolarHBondContact N-O 3.35Å; S67-C101 PolarHBondContact N-O 3.32Å; S67-C101 PolarHBondContact O-N 3.45Å; C101-F111 HydrophobicContact CB-CD1 3.82Å; C101-F111 HydrophobicContact CB-CE1 3.7Å; C101-F111 VanDerWaalsContact SG-CE1 3.51Å; C101-Q348 PolarHBondContact SG-NE2 3.2Å
102	S	93.5	Very high	91.6	Very high	10 Å²	10	36.2 Å²	36.2	7%	0.07	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	154.3	-174.1	63.1	0	0	0	0	111.9	L64 N66 L109 S110	L64-S102 CarbonylContact O-C 3.49Å; L64-S102 WeakPolarHBondContact O-CA 3.44Å; L64-S102 WeakPolarHBondContact O-CB 3.33Å; N66-S102 VanDerWaalsContact OD1-C 3.29Å; N66-S102 VanDerWaalsContact OD1-CA 3.3Å; N66-S102 WeakPolarHBondContact OD1-CA 3.27Å; S102-L109 CarbonylContact O-C 3.54Å; S102-L109 WeakPolarHBondContact O-CA 3.45Å; S102-S110 PolarHBondContact N-O 3.12Å; S102-S110 PolarHBondContact O-N 3.41Å; S102-S110 PolarHBondContact OG-O 3.29Å
103	G	90.6	Very high	91.9	Very high	8 Å²	8	34 Å²	34	8%	0.082	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	157	-177.2	0	0	0	0	0	113.5	L64 N66 D105	L64-G103 PolarHBondContact O-N 3.32Å; N66-G103 PolarHBondContact OD1-N 2.97Å; G103-D105 VanDerWaalsContact C-N 3.34Å
104	T	86.4	Confident	92.2	Very high	73 Å²	73	34.2 Å²	34.2	45%	0.448	19%	0.192	S	C	.	.	S	Bend	trans	-80.9	-20.1	171.5	43.7	0	0	0	0	113	N849 N853	T104-N849 PolarHBondContact O-ND2 2.96Å; T104-N853 PolarHBondContact O-ND2 3.03Å
105	D	87.1	Confident	92.3	Very high	27 Å²	27	27.9 Å²	27.9	14%	0.144	16%	0.162	C	C	.	.	S	Bend	trans	-151.1	-171.4	-177.7	58.2	81.1	0	0	0	108.4	G103 V107 N108	G103-D105 VanDerWaalsContact C-N 3.34Å; D105-V107 PolarHBondContact OD1-N 3.04Å; D105-N108 VanDerWaalsContact CG-ND2 3.31Å; D105-N108 PolarHBondContact OD1-N 3.49Å; D105-N108 PolarHBondContact OD1-ND2 3.46Å; D105-N108 WeakPolarHBondContact OD2-CB 3.4Å; D105-N108 PolarHBondContact OD2-ND2 2.94Å
106	L	88.6	Confident	92.5	Very high	20 Å²	20	26.8 Å²	26.8	11%	0.105	15%	0.151	C	C	.	.	S	Bend	trans	-86	-8.8	-173.2	-55.2	179.3	0	0	0	114.2	M345 Q348 F697	L106-M345 HydrophobicContact CB-CE 4.43Å; L106-Q348 HydrophobicContact CB-CB 4.26Å; L106-Q348 HydrophobicContact CD2-CB 4.24Å; L106-F697 HydrophobicContact CD1-CB 4.25Å; L106-F697 HydrophobicContact CD1-CD1 3.66Å; L106-F697 HydrophobicContact CD1-CG 4.42Å
107	V	91.5	Very high	92.4	Very high	46 Å²	46	34.9 Å²	34.9	28%	0.279	19%	0.189	S	C	.	.	S	Bend	trans	-113	-45.5	-173.1	177.2	0	0	0	0	111.4	D105 L109 M345 Q698	D105-V107 PolarHBondContact OD1-N 3.04Å; V107-L109 VanDerWaalsContact C-N 3.27Å; V107-L109 PolarHBondContact O-N 3.14Å; V107-M345 HydrophobicContact CG2-CE 4.11Å; V107-M345 HydrophobicContact CG2-SD 4.28Å; V107-Q698 HydrophobicContact CG2-CB 3.78Å
108	N	90.5	Very high	92.2	Very high	109 Å²	109	36.5 Å²	36.5	58%	0.583	20%	0.2	S	C	*	.	S	Bend	trans	-82.5	72.9	-178.8	-57.7	-68.9	0	0	0	110.6	D105	D105-N108 VanDerWaalsContact CG-ND2 3.31Å; D105-N108 PolarHBondContact OD1-N 3.49Å; D105-N108 PolarHBondContact OD1-ND2 3.46Å; D105-N108 WeakPolarHBondContact OD2-CB 3.4Å; D105-N108 PolarHBondContact OD2-ND2 2.94Å
109	L	91.9	Very high	92.2	Very high	41 Å²	41	39.2 Å²	39.2	22%	0.215	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	140.5	-179.9	-54.4	177.1	0	0	0	111.8	S102 V107 F111 E344 Q348	S102-L109 CarbonylContact O-C 3.54Å; S102-L109 WeakPolarHBondContact O-CA 3.45Å; V107-L109 VanDerWaalsContact C-N 3.27Å; V107-L109 PolarHBondContact O-N 3.14Å; L109-F111 HydrophobicContact CB-CE2 3.98Å; L109-F111 HydrophobicContact CB-CZ 4.24Å; L109-F111 HydrophobicContact CD1-CZ 4.14Å; L109-E344 HydrophobicContact CD1-CG 3.6Å; L109-Q348 HydrophobicContact CD1-CG 3.83Å; L109-Q348 HydrophobicContact CD2-CG 4.19Å
110	S	91.7	Very high	92.1	Very high	72 Å²	72	43.3 Å²	43.3	50%	0.503	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	132.7	167.4	176.8	0	0	0	0	109	S102	S102-S110 PolarHBondContact N-O 3.12Å; S102-S110 PolarHBondContact O-N 3.41Å; S102-S110 PolarHBondContact OG-O 3.29Å
111	F	91.8	Very high	92.1	Very high	75 Å²	75	45.1 Å²	45.1	33%	0.329	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	138.6	175.5	-61.1	-90.8	0	0	0	108.8	I100 C101 L109 F113 E344	I100-F111 WeakPolarHBondContact O-CA 3.42Å; C101-F111 HydrophobicContact CB-CD1 3.82Å; C101-F111 HydrophobicContact CB-CE1 3.7Å; C101-F111 VanDerWaalsContact SG-CE1 3.51Å; L109-F111 HydrophobicContact CB-CE2 3.98Å; L109-F111 HydrophobicContact CB-CZ 4.24Å; L109-F111 HydrophobicContact CD1-CZ 4.14Å; F111-F113 HydrophobicContact CB-CE2 3.89Å; F111-F113 HydrophobicContact CB-CZ 4.04Å; F111-E344 HydrophobicContact CZ-CG 4.37Å
112	M	91.3	Very high	92.2	Very high	17 Å²	17	45.1 Å²	45.1	8%	0.084	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	128.6	174.9	176.4	-169.8	-64.9	0	0	108.1	W50 L60 I100	W50-M112 HydrophobicContact CH2-CE 3.45Å; W50-M112 VanDerWaalsContact CH2-CE 3.45Å; W50-M112 HydrophobicContact CH2-SD 4.5Å; W50-M112 HydrophobicContact CZ2-CE 3.6Å; W50-M112 HydrophobicContact CZ3-CE 4.11Å; L60-M112 HydrophobicContact CD2-CE 4.2Å; I100-M112 HydrophobicContact CB-CB 4.48Å; I100-M112 PolarHBondContact N-O 3.42Å; I100-M112 PolarHBondContact O-N 3.11Å
113	F	94.2	Very high	92.3	Very high	39 Å²	39	50.3 Å²	50.3	17%	0.171	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	129.3	179.8	-56.2	-90.5	0	0	0	110.9	R25 F26 I97 I98 C99 F111	R25-F113 WeakPolarHBondContact CA-O 3.49Å; R25-F113 WeakPolarHBondContact CG-O 3.21Å; F26-F113 HydrophobicContact CD1-CB 3.96Å; F26-F113 HydrophobicContact CD2-CB 3.95Å; F26-F113 HydrophobicContact CD2-CD2 4.35Å; F26-F113 HydrophobicContact CD2-CG 4.36Å; F26-F113 HydrophobicContact CE1-CB 3.61Å; F26-F113 HydrophobicContact CE1-CG 4.5Å; F26-F113 HydrophobicContact CE2-CB 3.59Å; F26-F113 HydrophobicContact CE2-CD1 4.41Å; F26-F113 AromaticContact CE2-CD2 3.96Å; F26-F113 HydrophobicContact CE2-CD2 3.96Å; F26-F113 AromaticContact CE2-CG 3.74Å; F26-F113 HydrophobicContact CE2-CG 3.74Å; F26-F113 HydrophobicContact CG-CB 4.14Å; F26-F113 HydrophobicContact CZ-CB 3.42Å; F26-F113 VanDerWaalsContact CZ-CB 3.42Å; F26-F113 HydrophobicContact CZ-CD1 4.24Å; F26-F113 AromaticContact CZ-CG 3.83Å; F26-F113 HydrophobicContact CZ-CG 3.83Å; F26-F113 PolarHBondContact N-O 3.38Å; F26-F113 WeakPolarHBondContact O-CB 3.23Å; F26-F113 PolarHBondContact O-N 3.04Å; I97-F113 HydrophobicContact CG2-CB 4.43Å; I97-F113 HydrophobicContact CG2-CD1 4.33Å; I98-F113 WeakPolarHBondContact O-CA 3.33Å; C99-F113 HydrophobicContact CB-CD1 3.99Å; C99-F113 HydrophobicContact CB-CE1 3.95Å; F111-F113 HydrophobicContact CB-CE2 3.89Å; F111-F113 HydrophobicContact CB-CZ 4.04Å
114	M	94.4	Very high	92.5	Very high	5 Å²	5	55.1 Å²	55.1	3%	0.025	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	144.8	177.3	-58.9	160.2	47.2	0	0	109.5	F23 D24 M39 I97 I98 I100	F23-M114 HydrophobicContact CB-CB 4.36Å; F23-M114 HydrophobicContact CB-CE 4.11Å; F23-M114 HydrophobicContact CD1-CB 4.24Å; F23-M114 HydrophobicContact CD1-CE 3.49Å; F23-M114 VanDerWaalsContact CD1-CE 3.49Å; F23-M114 HydrophobicContact CD2-CE 3.58Å; F23-M114 HydrophobicContact CE1-CE 3.64Å; F23-M114 HydrophobicContact CE2-CE 3.72Å; F23-M114 HydrophobicContact CG-CB 4.5Å; F23-M114 HydrophobicContact CG-CE 3.45Å; F23-M114 VanDerWaalsContact CG-CE 3.45Å; F23-M114 HydrophobicContact CZ-CE 3.75Å; D24-M114 CarbonylContact O-C 3.49Å; D24-M114 WeakPolarHBondContact O-CA 3.14Å; M39-M114 HydrophobicContact CE-CE 3.53Å; M39-M114 HydrophobicContact CE-SD 4.28Å; M39-M114 HydrophobicContact SD-CE 3.31Å; M39-M114 WeakPolarHBondContact SD-CE 3.33Å; M39-M114 HydrophobicContact SD-SD 3.61Å; M39-M114 VanDerWaalsContact SD-SD 3.61Å; I97-M114 CarbonylContact C-O 3.58Å; I97-M114 VanDerWaalsContact CA-O 3.3Å; I97-M114 WeakPolarHBondContact CA-O 3.49Å; I98-M114 HydrophobicContact CB-CB 4.37Å; I98-M114 HydrophobicContact CD1-CE 4.3Å; I98-M114 PolarHBondContact N-O 2.77Å; I98-M114 PolarHBondContact O-N 2.87Å; I100-M114 HydrophobicContact CD1-SD 3.71Å
115	V	94.9	Very high	92.9	Very high	1 Å²	1	52 Å²	52	1%	0.006	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	119	178	-170.4	0	0	0	0	108.9	F23 D24 F26 F83 L93 C96 I97	F23-V115 WeakPolarHBondContact CA-O 3.45Å; D24-V115 HydrophobicContact CB-CB 4.44Å; D24-V115 PolarHBondContact N-O 3.45Å; D24-V115 VanDerWaalsContact N-O 3.1Å; D24-V115 PolarHBondContact O-N 3.48Å; F26-V115 HydrophobicContact CD1-CG2 4.06Å; F26-V115 HydrophobicContact CE1-CG2 3.82Å; F83-V115 HydrophobicContact CE1-CB 4.19Å; F83-V115 HydrophobicContact CE1-CG1 4.42Å; F83-V115 HydrophobicContact CE1-CG2 3.87Å; F83-V115 HydrophobicContact CE2-CG2 4.32Å; F83-V115 HydrophobicContact CZ-CB 4.23Å; F83-V115 HydrophobicContact CZ-CG2 3.42Å; F83-V115 VanDerWaalsContact CZ-CG2 3.42Å; L93-V115 HydrophobicContact CD2-CG1 3.7Å; C96-V115 HydrophobicContact CB-CG1 3.98Å; I97-V115 HydrophobicContact CG1-CG2 4.13Å
116	A	94.7	Very high	93.2	Very high	2 Å²	2	51 Å²	51	2%	0.017	26%	0.261	C	S	.	.			trans	-74.7	169.9	174.7	0	0	0	0	0	111.8	F23 C96 S118 T121 A122	F23-A116 HydrophobicContact CD1-CB 4.18Å; F23-A116 HydrophobicContact CE1-CB 3.92Å; C96-A116 PolarHBondContact O-N 3.02Å; A116-S118 VanDerWaalsContact C-N 3.28Å; A116-S118 WeakPolarHBondContact CB-O 3.48Å; A116-T121 HydrophobicContact CB-CG2 3.98Å; A116-A122 HydrophobicContact CB-CB 3.85Å
117	E	91.7	Very high	93.4	Very high	174 Å²	174	55.5 Å²	55.5	81%	0.813	28%	0.282	S	S	*	.	S	Bend	trans	-68.9	-25.7	169.7	-172	177.9	-167.8	0	0	112.8
118	S	93	Very high	93.5	Very high	35 Å²	35	53.6 Å²	53.6	25%	0.245	27%	0.271	C	S	.	.	S	Bend	trans	-155.2	161.6	179.2	73.8	0	0	0	0	112.8	C96 A116 D120 T121 A122	C96-S118 VanDerWaalsContact SG-C 3.55Å; A116-S118 VanDerWaalsContact C-N 3.28Å; A116-S118 WeakPolarHBondContact CB-O 3.48Å; S118-D120 PolarHBondContact O-N 3.38Å; S118-T121 PolarHBondContact O-N 3.3Å; S118-T121 PolarHBondContact OG-N 3.19Å; S118-T121 PolarHBondContact OG-OG1 3.1Å; S118-A122 PolarHBondContact O-N 3.2Å
119	P	94.5	Very high	93.5	Very high	56 Å²	56	48.6 Å²	48.6	36%	0.364	24%	0.244	S	C	.	.	H	α-helix	trans	-64.1	-27.7	176.4	-21.9	34.4	0	0	0	113	C96 R123	C96-P119 WeakPolarHBondContact SG-CD 3.21Å; P119-R123 VanDerWaalsContact O-CB 3.3Å; P119-R123 WeakPolarHBondContact O-CB 3.28Å; P119-R123 PolarHBondContact O-N 2.71Å
120	D	94.3	Very high	93.5	Very high	99 Å²	99	52.8 Å²	52.8	53%	0.529	26%	0.257	S	S	.	.	H	α-helix	trans	-68.5	-42.7	174.1	-70.8	-36.2	0	0	0	111.7	S118 R123 K124	S118-D120 PolarHBondContact O-N 3.38Å; D120-R123 IonicContact OD1-CZ 2.72Å; D120-R123 IonicContact OD1-NH1 2.76Å; D120-R123 PolarHBondContact OD1-NH1 3.31Å; D120-R123 IonicContact OD1-NH2 3.45Å; D120-R123 PolarHBondContact OD1-NH2 2.93Å; D120-K124 VanDerWaalsContact O-CB 3.26Å; D120-K124 WeakPolarHBondContact O-CB 3.22Å; D120-K124 PolarHBondContact O-N 3.4Å
121	T	94.1	Very high	93.3	Very high	39 Å²	39	52 Å²	52	24%	0.239	25%	0.251	C	S	.	.	H	α-helix	trans	-64.3	-44.4	173.7	-63	0	0	0	0	110.7	A116 S118 R123 K124 W125	A116-T121 HydrophobicContact CB-CG2 3.98Å; S118-T121 PolarHBondContact O-N 3.3Å; S118-T121 PolarHBondContact OG-N 3.19Å; S118-T121 PolarHBondContact OG-OG1 3.1Å; T121-R123 PolarHBondContact O-N 2.82Å; T121-K124 PolarHBondContact O-N 3.17Å; T121-W125 PolarHBondContact O-N 2.97Å
122	A	95.3	Very high	92.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-57.8	-50	176.1	0	0	0	0	0	111.9	G95 C96 I98 A116 S118 W125 I126	G95-A122 WeakPolarHBondContact O-CB 3.22Å; C96-A122 WeakPolarHBondContact O-CB 3.44Å; I98-A122 HydrophobicContact CG1-CB 4.21Å; A116-A122 HydrophobicContact CB-CB 3.85Å; S118-A122 PolarHBondContact O-N 3.2Å; A122-W125 PolarHBondContact O-N 3.05Å; A122-I126 WeakPolarHBondContact O-CB 3.3Å; A122-I126 VanDerWaalsContact O-CG1 3.27Å; A122-I126 WeakPolarHBondContact O-CG1 3.25Å; A122-I126 PolarHBondContact O-N 2.79Å
123	R	95.1	Very high	92.6	Very high	118 Å²	118	48.4 Å²	48.4	45%	0.445	24%	0.236	S	C	.	.	H	α-helix	trans	-59.6	-48.7	177.8	-166.2	-168.3	-42.4	105	10.9	112.1	P119 D120 T121 W125 I126 E127	P119-R123 VanDerWaalsContact O-CB 3.3Å; P119-R123 WeakPolarHBondContact O-CB 3.28Å; P119-R123 PolarHBondContact O-N 2.71Å; D120-R123 IonicContact OD1-CZ 2.72Å; D120-R123 IonicContact OD1-NH1 2.76Å; D120-R123 PolarHBondContact OD1-NH1 3.31Å; D120-R123 IonicContact OD1-NH2 3.45Å; D120-R123 PolarHBondContact OD1-NH2 2.93Å; T121-R123 PolarHBondContact O-N 2.82Å; R123-W125 VanDerWaalsContact C-N 3.31Å; R123-W125 PolarHBondContact O-N 3.3Å; R123-I126 PolarHBondContact O-N 3.24Å; R123-E127 WeakPolarHBondContact CG-OE1 3.5Å; R123-E127 WeakPolarHBondContact O-CG 3.33Å; R123-E127 PolarHBondContact O-N 3.19Å
124	K	95.1	Very high	91.8	Very high	110 Å²	110	48.8 Å²	48.8	48%	0.478	24%	0.239	S	C	.	.	H	α-helix	trans	-58.4	-41.5	179.3	-170.6	-169.9	-179.7	-168.3	0	111.8	F16 D120 T121 G128	F16-K124 HydrophobicContact CD1-CD 4.46Å; F16-K124 VanDerWaalsContact CD1-CE 3.42Å; F16-K124 HydrophobicContact CD2-CD 4.31Å; F16-K124 HydrophobicContact CE1-CD 4.3Å; F16-K124 HydrophobicContact CE1-CG 4.05Å; F16-K124 HydrophobicContact CE2-CD 4.17Å; F16-K124 HydrophobicContact CE2-CG 3.99Å; F16-K124 HydrophobicContact CG-CD 4.46Å; F16-K124 HydrophobicContact CZ-CD 4.18Å; F16-K124 HydrophobicContact CZ-CG 3.69Å; F16-K124 WeakPolarHBondContact CZ-O 3.31Å; D120-K124 VanDerWaalsContact O-CB 3.26Å; D120-K124 WeakPolarHBondContact O-CB 3.22Å; D120-K124 PolarHBondContact O-N 3.4Å; T121-K124 PolarHBondContact O-N 3.17Å; K124-G128 PolarHBondContact O-N 3.28Å
125	W	94.8	Very high	91.3	Very high	6 Å²	6	49.6 Å²	49.6	2%	0.023	24%	0.243	C	C	.	.	H	α-helix	trans	-73.2	-37.5	175.6	-85.5	89.5	0	0	0	113.3	F16 M17 A21 F23 M39 V41 I98 T121 A122 R123 G128 L129	F16-W125 HydrophobicContact CD2-CD2 4.4Å; F16-W125 AromaticContact CD2-CE2 3.9Å; F16-W125 HydrophobicContact CD2-CZ2 4.25Å; F16-W125 AromaticContact CD2-NE1 3.8Å; F16-W125 AromaticContact CE2-CD1 3.89Å; F16-W125 AromaticContact CE2-CD2 3.95Å; F16-W125 HydrophobicContact CE2-CD2 3.95Å; F16-W125 AromaticContact CE2-CE2 3.92Å; F16-W125 AromaticContact CE2-CG 3.97Å; F16-W125 HydrophobicContact CE2-CG 3.97Å; F16-W125 AromaticContact CE2-NE1 3.86Å; M17-W125 HydrophobicContact CB-CH2 4.22Å; M17-W125 HydrophobicContact CB-CZ3 4.16Å; M17-W125 HydrophobicContact CE-CE3 4.47Å; M17-W125 HydrophobicContact CE-CZ3 4.46Å; M17-W125 HydrophobicContact CG-CE3 4.29Å; M17-W125 HydrophobicContact CG-CH2 4.42Å; M17-W125 HydrophobicContact CG-CZ3 4.14Å; A21-W125 HydrophobicContact CB-CZ2 3.74Å; F23-W125 HydrophobicContact CE2-CD2 4.19Å; F23-W125 AromaticContact CE2-CE2 3.97Å; F23-W125 HydrophobicContact CE2-CZ2 4.16Å; F23-W125 HydrophobicContact CZ-CB 4.35Å; F23-W125 AromaticContact CZ-CD1 3.75Å; F23-W125 AromaticContact CZ-CD2 3.71Å; F23-W125 HydrophobicContact CZ-CD2 3.71Å; F23-W125 AromaticContact CZ-CE2 3.75Å; F23-W125 HydrophobicContact CZ-CE3 4.34Å; F23-W125 AromaticContact CZ-CG 3.71Å; F23-W125 HydrophobicContact CZ-CG 3.71Å; F23-W125 HydrophobicContact CZ-CZ2 4.39Å; F23-W125 AromaticContact CZ-NE1 3.76Å; M39-W125 HydrophobicContact CE-CD2 4.5Å; M39-W125 HydrophobicContact CE-CE3 3.56Å; M39-W125 HydrophobicContact CE-CH2 4.01Å; M39-W125 HydrophobicContact CE-CZ3 3.27Å; V41-W125 HydrophobicContact CG2-CZ3 4.29Å; I98-W125 HydrophobicContact CD1-CB 3.69Å; T121-W125 PolarHBondContact O-N 2.97Å; A122-W125 PolarHBondContact O-N 3.05Å; R123-W125 VanDerWaalsContact C-N 3.31Å; R123-W125 PolarHBondContact O-N 3.3Å; W125-G128 PolarHBondContact O-N 3.03Å; W125-L129 HydrophobicContact CE3-CD1 4.28Å; W125-L129 HydrophobicContact CE3-CG 4.3Å; W125-L129 WeakPolarHBondContact O-CB 3.24Å; W125-L129 WeakPolarHBondContact O-CD1 3.36Å; W125-L129 WeakPolarHBondContact O-CG 3.32Å; W125-L129 PolarHBondContact O-N 3.2Å
126	I	94.4	Very high	90.6	Very high	6 Å²	6	52.4 Å²	52.4	3%	0.031	26%	0.255	C	S	.	.	H	α-helix	trans	-60.1	-47.5	173	-74.1	164	0	0	0	110.6	I68 V70 I98 A122 R123 R130	I68-I126 HydrophobicContact CG2-CG1 4.2Å; I68-I126 HydrophobicContact CG2-CG2 4.47Å; V70-I126 HydrophobicContact CB-CD1 4.43Å; V70-I126 HydrophobicContact CG2-CD1 3.72Å; I98-I126 HydrophobicContact CB-CG1 4.35Å; I98-I126 HydrophobicContact CD1-CG1 4.3Å; I98-I126 HydrophobicContact CG1-CD1 4.1Å; I98-I126 HydrophobicContact CG1-CG1 3.95Å; I98-I126 HydrophobicContact CG2-CD1 4.46Å; I98-I126 HydrophobicContact CG2-CG1 3.85Å; A122-I126 WeakPolarHBondContact O-CB 3.3Å; A122-I126 VanDerWaalsContact O-CG1 3.27Å; A122-I126 WeakPolarHBondContact O-CG1 3.25Å; A122-I126 PolarHBondContact O-N 2.79Å; R123-I126 PolarHBondContact O-N 3.24Å; I126-R130 HydrophobicContact CG2-CG 4.42Å; I126-R130 WeakPolarHBondContact O-CB 3.26Å; I126-R130 WeakPolarHBondContact O-CG 3.27Å; I126-R130 PolarHBondContact O-N 2.94Å
127	E	92.8	Very high	90.2	Very high	116 Å²	116	54.9 Å²	54.9	54%	0.542	27%	0.266	S	S	.	.	H	α-helix	trans	-64.1	-46	177	-71.8	170	-170.4	0	0	111.8	R123 R130 S131	R123-E127 WeakPolarHBondContact CG-OE1 3.5Å; R123-E127 WeakPolarHBondContact O-CG 3.33Å; R123-E127 PolarHBondContact O-N 3.19Å; E127-R130 PolarHBondContact O-N 2.96Å; E127-S131 PolarHBondContact O-N 3Å
128	G	92.3	Very high	90	Very high	5 Å²	5	47.2 Å²	47.2	5%	0.052	23%	0.232	C	C	.	.	H	α-helix	trans	-57.4	-53.2	176	0	0	0	0	0	112.5	M17 K124 W125 R130 S131	M17-G128 VanDerWaalsContact SD-C 3.55Å; M17-G128 VanDerWaalsContact SD-CA 3.54Å; K124-G128 PolarHBondContact O-N 3.28Å; W125-G128 PolarHBondContact O-N 3.03Å; G128-R130 PolarHBondContact O-N 3.48Å; G128-S131 WeakPolarHBondContact O-CB 3.5Å; G128-S131 PolarHBondContact O-N 2.88Å; G128-S131 PolarHBondContact O-OG 3.23Å
129	L	92.2	Very high	89.8	Confident	4 Å²	4	47.1 Å²	47.1	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-65.2	-38.5	178.6	-65.3	164.5	0	0	0	112.1	M17 V41 I48 I68 I100 W125 S131 V132 I133	M17-L129 HydrophobicContact CE-CB 4.36Å; M17-L129 HydrophobicContact CE-CD2 3.48Å; M17-L129 VanDerWaalsContact CE-CD2 3.48Å; M17-L129 HydrophobicContact CE-CG 3.75Å; V41-L129 HydrophobicContact CG2-CD2 3.82Å; I48-L129 HydrophobicContact CD1-CD2 3.76Å; I48-L129 HydrophobicContact CG1-CD2 4.15Å; I68-L129 HydrophobicContact CD1-CB 3.37Å; I68-L129 HydrophobicContact CD1-CD1 4.16Å; I68-L129 HydrophobicContact CD1-CG 4.29Å; I100-L129 HydrophobicContact CD1-CD1 4.41Å; W125-L129 HydrophobicContact CE3-CD1 4.28Å; W125-L129 HydrophobicContact CE3-CG 4.3Å; W125-L129 WeakPolarHBondContact O-CB 3.24Å; W125-L129 WeakPolarHBondContact O-CD1 3.36Å; W125-L129 WeakPolarHBondContact O-CG 3.32Å; W125-L129 PolarHBondContact O-N 3.2Å; L129-S131 PolarHBondContact O-N 2.92Å; L129-V132 PolarHBondContact O-N 3.09Å; L129-I133 PolarHBondContact O-N 3.08Å; L129-I133 VanDerWaalsContact O-N 3.11Å
130	R	91.1	Very high	89.6	Confident	130 Å²	130	45.3 Å²	45.3	49%	0.491	22%	0.216	S	C	.	.	H	α-helix	trans	-59.4	-32.3	173.5	-81.2	173.9	175.7	-170.9	-3.5	112.9	I68 I126 E127 G128 V132 I133	I68-R130 HydrophobicContact CB-CG 4.42Å; I68-R130 VanDerWaalsContact O-CZ 3.31Å; I68-R130 PolarHBondContact O-NE 3.11Å; I68-R130 PolarHBondContact O-NH2 2.99Å; I126-R130 HydrophobicContact CG2-CG 4.42Å; I126-R130 WeakPolarHBondContact O-CB 3.26Å; I126-R130 WeakPolarHBondContact O-CG 3.27Å; I126-R130 PolarHBondContact O-N 2.94Å; E127-R130 PolarHBondContact O-N 2.96Å; G128-R130 PolarHBondContact O-N 3.48Å; R130-V132 VanDerWaalsContact C-N 3.3Å; R130-V132 PolarHBondContact O-N 3.38Å; R130-I133 HydrophobicContact CG-CD1 4.42Å; R130-I133 WeakPolarHBondContact O-CG1 3.49Å
131	S	87.1	Confident	89.5	Confident	54 Å²	54	41 Å²	41	38%	0.378	19%	0.193	S	C	.	.	H	α-helix	trans	-66.7	-32.1	174.7	81.5	0	0	0	0	112.6	K11 E127 G128 L129	K11-S131 WeakPolarHBondContact CD-O 3.43Å; K11-S131 WeakPolarHBondContact CE-O 3.24Å; K11-S131 PolarHBondContact NZ-O 3.22Å; E127-S131 PolarHBondContact O-N 3Å; G128-S131 WeakPolarHBondContact O-CB 3.5Å; G128-S131 PolarHBondContact O-N 2.88Å; G128-S131 PolarHBondContact O-OG 3.23Å; L129-S131 PolarHBondContact O-N 2.92Å
132	V	84.3	Confident	89.4	Confident	9 Å²	9	39.7 Å²	39.7	6%	0.055	19%	0.186	C	C	.	.	H	α-helix	trans	-84.5	-43.8	-174	-177.9	0	0	0	0	112.2	K11 L13 M17 L129 R130 N135	K11-V132 PolarHBondContact NZ-O 2.83Å; L13-V132 HydrophobicContact CD1-CG2 3.54Å; M17-V132 HydrophobicContact CE-CG2 4.35Å; L129-V132 PolarHBondContact O-N 3.09Å; R130-V132 VanDerWaalsContact C-N 3.3Å; R130-V132 PolarHBondContact O-N 3.38Å; V132-N135 WeakPolarHBondContact O-CB 3.31Å
133	I	83.6	Confident	89.4	Confident	8 Å²	8	40.3 Å²	40.3	4%	0.041	19%	0.19	C	C	.	.	S	Bend	trans	-60.3	170.7	177.6	64.9	177.8	0	0	0	112.4	K11 I65 I68 L129 R130 N135	K11-I133 PolarHBondContact NZ-O 2.63Å; I65-I133 HydrophobicContact CB-CG2 4.02Å; I65-I133 HydrophobicContact CG2-CG2 4Å; I68-I133 HydrophobicContact CD1-CD1 4.21Å; I68-I133 HydrophobicContact CD1-CG2 4.07Å; I68-I133 HydrophobicContact CG1-CD1 4.17Å; L129-I133 PolarHBondContact O-N 3.08Å; L129-I133 VanDerWaalsContact O-N 3.11Å; R130-I133 HydrophobicContact CG-CD1 4.42Å; R130-I133 WeakPolarHBondContact O-CG1 3.49Å; I133-N135 PolarHBondContact O-N 2.68Å; I133-N135 VanDerWaalsContact O-N 3.08Å
134	H	77.8	Confident	89.4	Confident	48 Å²	48	36 Å²	36	22%	0.222	18%	0.175	C	C	.	.			trans	53	29.3	-173.8	-48.2	123.3	0	0	0	113.4	N66 F136 T399	N66-H134 PolarHBondContact O-NE2 2.78Å; H134-F136 VanDerWaalsContact C-N 3.31Å; H134-F136 HydrophobicContact CB-CE2 4.11Å; H134-F136 HydrophobicContact CB-CZ 4.11Å; H134-F136 VanDerWaalsContact O-CD2 3.25Å; H134-F136 WeakPolarHBondContact O-CD2 3.19Å; H134-F136 WeakPolarHBondContact O-CE2 3.3Å; H134-F136 PolarHBondContact O-N 3.03Å; H134-T399 HydrophobicContact CB-CG2 4.14Å
135	N	84.4	Confident	89.4	Confident	21 Å²	21	31.9 Å²	31.9	11%	0.112	16%	0.159	C	C	.	.			trans	-80.4	77.8	172.3	-171.2	-8.3	0	0	0	110.7	W9 K11 V132 I133 K137 A138 N139	W9-N135 PolarHBondContact O-ND2 3.48Å; W9-N135 PolarHBondContact O-OD1 2.9Å; K11-N135 HydrophobicContact CD-CB 4.19Å; V132-N135 WeakPolarHBondContact O-CB 3.31Å; I133-N135 PolarHBondContact O-N 2.68Å; I133-N135 VanDerWaalsContact O-N 3.08Å; N135-K137 PolarHBondContact O-N 3.13Å; N135-K137 VanDerWaalsContact O-N 3.13Å; N135-K137 PolarHBondContact OD1-N 2.76Å; N135-A138 HydrophobicContact CB-CB 3.98Å; N135-A138 VanDerWaalsContact CG-CB 3.46Å; N135-A138 WeakPolarHBondContact ND2-CB 3.26Å; N135-A138 PolarHBondContact O-N 2.77Å; N135-A138 PolarHBondContact OD1-N 2.85Å; N135-A138 VanDerWaalsContact OD1-N 3.09Å; N135-N139 PolarHBondContact O-N 3.02Å
136	F	80.3	Confident	89.4	Confident	60 Å²	60	32.2 Å²	32.2	26%	0.263	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-23.9	-179.5	-56.3	-69.7	0	0	0	113.8	H134 N140 T399 C716	H134-F136 VanDerWaalsContact C-N 3.31Å; H134-F136 HydrophobicContact CB-CE2 4.11Å; H134-F136 HydrophobicContact CB-CZ 4.11Å; H134-F136 VanDerWaalsContact O-CD2 3.25Å; H134-F136 WeakPolarHBondContact O-CD2 3.19Å; H134-F136 WeakPolarHBondContact O-CE2 3.3Å; H134-F136 PolarHBondContact O-N 3.03Å; F136-N140 PolarHBondContact O-ND2 2.89Å; F136-T399 HydrophobicContact CZ-CG2 4.01Å; F136-C716 HydrophobicContact CD1-CB 3.94Å; F136-C716 HydrophobicContact CD2-CB 4.15Å; F136-C716 HydrophobicContact CE1-CB 3.87Å; F136-C716 HydrophobicContact CE2-CB 4.09Å; F136-C716 HydrophobicContact CG-CB 4.08Å; F136-C716 HydrophobicContact CZ-CB 3.95Å
137	K	86.3	Confident	89.4	Confident	54 Å²	54	32.5 Å²	32.5	24%	0.235	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-44.9	172.8	-60.6	-169.9	-174.6	-164.7	0	111.7	F7 N8 W9 N135 N139 N140 E310	F7-K137 HydrophobicContact CE1-CB 4.46Å; F7-K137 WeakPolarHBondContact CE1-O 3.5Å; F7-K137 HydrophobicContact CE2-CB 4.05Å; F7-K137 HydrophobicContact CE2-CD 4.16Å; F7-K137 HydrophobicContact CE2-CG 4.09Å; F7-K137 HydrophobicContact CZ-CB 3.71Å; F7-K137 HydrophobicContact CZ-CG 4.2Å; F7-K137 WeakPolarHBondContact CZ-O 3.33Å; N8-K137 VanDerWaalsContact O-CD 3.27Å; N8-K137 WeakPolarHBondContact O-CD 3.32Å; W9-K137 HydrophobicContact CB-CB 3.63Å; N135-K137 PolarHBondContact O-N 3.13Å; N135-K137 VanDerWaalsContact O-N 3.13Å; N135-K137 PolarHBondContact OD1-N 2.76Å; K137-N139 PolarHBondContact O-N 3.29Å; K137-N140 PolarHBondContact O-N 3.37Å; K137-E310 WeakPolarHBondContact CE-OE1 3.22Å; K137-E310 WeakPolarHBondContact CE-OE2 3.41Å; K137-E310 IonicContact NZ-OE1 2.75Å; K137-E310 PolarHBondContact NZ-OE1 3.02Å; K137-E310 IonicContact NZ-OE2 3.93Å; K137-E310 PolarHBondContact NZ-OE2 3.29Å
138	A	87.8	Confident	89.5	Confident	13 Å²	13	29.4 Å²	29.4	11%	0.107	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-61.8	-26.9	174.5	0	0	0	0	0	112.8	W9 F46 N135 N140	W9-A138 HydrophobicContact CE3-CB 4.04Å; F46-A138 HydrophobicContact CE1-CB 4.5Å; N135-A138 HydrophobicContact CB-CB 3.98Å; N135-A138 VanDerWaalsContact CG-CB 3.46Å; N135-A138 WeakPolarHBondContact ND2-CB 3.26Å; N135-A138 PolarHBondContact O-N 2.77Å; N135-A138 PolarHBondContact OD1-N 2.85Å; N135-A138 VanDerWaalsContact OD1-N 3.09Å; A138-N140 PolarHBondContact O-N 2.94Å
139	N	88.2	Confident	89.7	Confident	33 Å²	33	29.6 Å²	29.6	18%	0.176	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-71.6	-0.6	172.8	-71.6	-3.6	0	0	0	114.2	S63 N135 K137 R848 P854	S63-N139 WeakPolarHBondContact CB-OD1 3.49Å; N135-N139 PolarHBondContact O-N 3.02Å; K137-N139 PolarHBondContact O-N 3.29Å; N139-R848 PolarHBondContact O-NH2 3.17Å; N139-P854 HydrophobicContact CB-CG 4.25Å
140	N	90.5	Very high	89.8	Confident	19 Å²	19	30.9 Å²	30.9	10%	0.102	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-132.1	19.2	-176.6	-80.9	-71	0	0	0	114.1	F7 F136 K137 A138 L309 E712 R831 R848	F7-N140 HydrophobicContact CZ-CB 4.39Å; F136-N140 PolarHBondContact O-ND2 2.89Å; K137-N140 PolarHBondContact O-N 3.37Å; A138-N140 PolarHBondContact O-N 2.94Å; N140-L309 HydrophobicContact CB-CD1 3.48Å; N140-L309 VanDerWaalsContact CB-CD1 3.48Å; N140-E712 VanDerWaalsContact CG-OE1 3.3Å; N140-E712 PolarHBondContact ND2-OE1 3.18Å; N140-E712 PolarHBondContact OD1-OE1 2.78Å; N140-R831 PolarHBondContact OD1-NH1 3.17Å; N140-R831 PolarHBondContact OD1-NH2 3.2Å; N140-R848 PolarHBondContact ND2-NH2 3.15Å; N140-R848 PolarHBondContact OD1-NH2 2.84Å
141	V	92.1	Very high	90	Very high	8 Å²	8	26.8 Å²	26.8	5%	0.048	14%	0.138	C	C	.	.			trans	-63.1	151.6	176.9	-62.9	0	0	0	0	113.1	W9 T145	W9-V141 HydrophobicContact CB-CG1 4.32Å; W9-V141 HydrophobicContact CD2-CG1 3.51Å; W9-V141 HydrophobicContact CE3-CG1 4.02Å; W9-V141 HydrophobicContact CG-CG1 3.63Å; W9-V141 HydrophobicContact CZ2-CG1 4.34Å; V141-T145 HydrophobicContact CB-CG2 3.74Å; V141-T145 HydrophobicContact CG1-CG2 4.06Å; V141-T145 HydrophobicContact CG2-CG2 3.77Å
142	C	93.3	Very high	90.4	Very high	11 Å²	11	24.7 Å²	24.7	7%	0.074	12%	0.123	C	C	.	.			trans	-65.2	161.1	-179.1	68.5	0	0	0	0	115	M144 T145 C146 M297 D299	C142-M144 PolarHBondContact O-N 3.45Å; C142-M144 VanDerWaalsContact O-N 3.11Å; C142-T145 PolarHBondContact O-N 2.95Å; C142-T145 PolarHBondContact SG-OG1 3.29Å; C142-C146 PolarHBondContact O-N 3.22Å; C142-M297 VanDerWaalsContact CB-O 3.3Å; C142-M297 WeakPolarHBondContact CB-O 3.37Å; C142-M297 PolarHBondContact SG-O 2.93Å; C142-M297 VanDerWaalsContact SG-O 3.4Å; C142-D299 HydrophobicContact CB-CB 4.32Å; C142-D299 VanDerWaalsContact CB-N 3.3Å; C142-D299 VanDerWaalsContact CB-OD1 3.22Å; C142-D299 WeakPolarHBondContact CB-OD1 3.28Å; C142-D299 PolarHBondContact N-OD1 2.95Å; C142-D299 PolarHBondContact SG-OD1 3.05Å; C142-D299 VanDerWaalsContact SG-OD1 3.41Å; C142-D299 PolarHBondContact SG-OD2 2.71Å
143	P	95.1	Very high	90.9	Very high	13 Å²	13	28.2 Å²	28.2	8%	0.084	14%	0.135	C	C	.	.	H	α-helix	trans	-53.1	-31.6	178.5	-28.6	34.2	0	0	0	115.6	C146 L147 M297 H844 T859	P143-C146 PolarHBondContact O-N 3.4Å; P143-L147 WeakPolarHBondContact O-CG 3.25Å; P143-L147 PolarHBondContact O-N 3.2Å; P143-M297 HydrophobicContact CB-CB 4.29Å; P143-M297 HydrophobicContact CB-CE 3.95Å; P143-M297 HydrophobicContact CB-CG 4.49Å; P143-M297 WeakPolarHBondContact CD-O 3.38Å; P143-H844 HydrophobicContact CG-CB 3.6Å; P143-T859 HydrophobicContact CG-CG2 4.28Å
144	M	94.8	Very high	91.4	Very high	28 Å²	28	28.5 Å²	28.5	14%	0.138	14%	0.136	C	C	.	.	H	α-helix	trans	-65.2	-44.1	175.2	-172.1	62.7	60.1	0	0	111.8	C142 L147 K148 F206 Y210 R294 M297	C142-M144 PolarHBondContact O-N 3.45Å; C142-M144 VanDerWaalsContact O-N 3.11Å; M144-L147 PolarHBondContact O-N 3.21Å; M144-K148 PolarHBondContact O-N 3.5Å; M144-K148 VanDerWaalsContact O-N 3.1Å; M144-F206 HydrophobicContact SD-CE1 4.38Å; M144-F206 HydrophobicContact SD-CZ 4.12Å; M144-Y210 HydrophobicContact CE-CD2 4.48Å; M144-Y210 HydrophobicContact CE-CE2 3.59Å; M144-Y210 HydrophobicContact SD-CD2 4.04Å; M144-Y210 HydrophobicContact SD-CE2 3.73Å; M144-R294 HydrophobicContact CE-CB 4.21Å; M144-R294 HydrophobicContact CE-CG 3.83Å; M144-M297 HydrophobicContact CB-CB 4.38Å; M144-M297 WeakPolarHBondContact CB-O 3.48Å; M144-M297 HydrophobicContact CE-CB 4.1Å; M144-M297 HydrophobicContact CE-CE 4.47Å; M144-M297 HydrophobicContact CE-SD 4.3Å; M144-M297 PolarHBondContact N-O 3.16Å; M144-M297 VanDerWaalsContact N-O 3.09Å
145	T	94.7	Very high	92.2	Very high	24 Å²	24	27.1 Å²	27.1	15%	0.147	13%	0.132	C	C	.	.	H	α-helix	trans	-70.1	-36.9	176.4	-57.9	0	0	0	0	111.2	W9 F46 V141 C142 K148 K149	W9-T145 HydrophobicContact CH2-CG2 4.17Å; W9-T145 HydrophobicContact CZ2-CG2 3.71Å; F46-T145 HydrophobicContact CE2-CG2 4.28Å; F46-T145 HydrophobicContact CZ-CG2 3.71Å; V141-T145 HydrophobicContact CB-CG2 3.74Å; V141-T145 HydrophobicContact CG1-CG2 4.06Å; V141-T145 HydrophobicContact CG2-CG2 3.77Å; C142-T145 PolarHBondContact O-N 2.95Å; C142-T145 PolarHBondContact SG-OG1 3.29Å; T145-K148 WeakPolarHBondContact O-CB 3.46Å; T145-K148 PolarHBondContact O-N 2.88Å; T145-K148 VanDerWaalsContact O-N 3.16Å; T145-K149 WeakPolarHBondContact O-CB 3.32Å; T145-K149 PolarHBondContact O-N 2.91Å
146	C	95.3	Very high	92.6	Very high	13 Å²	13	28.7 Å²	28.7	9%	0.088	14%	0.138	C	C	.	.	H	α-helix	trans	-57.6	-44.7	169.7	-81.9	0	0	0	0	112.8	C142 P143 K148 K149 H150 S856	C142-C146 PolarHBondContact O-N 3.22Å; P143-C146 PolarHBondContact O-N 3.4Å; C146-K148 VanDerWaalsContact C-N 3.33Å; C146-K148 PolarHBondContact O-N 3.41Å; C146-K149 WeakPolarHBondContact O-CB 3.3Å; C146-K149 PolarHBondContact O-N 3.33Å; C146-H150 PolarHBondContact O-N 3.49Å; C146-S856 CarbonylContact C-O 3.51Å; C146-S856 WeakPolarHBondContact CB-O 3.47Å
147	L	94.8	Very high	93.2	Very high	12 Å²	12	29.4 Å²	29.4	6%	0.063	14%	0.144	C	C	.	.	H	α-helix	trans	-60.9	-40.4	172.7	-78.9	173.2	0	0	0	112.3	P143 M144 H150 W151 F206 F209 Y210 T213 M297 F758 L857	P143-L147 WeakPolarHBondContact O-CG 3.25Å; P143-L147 PolarHBondContact O-N 3.2Å; M144-L147 PolarHBondContact O-N 3.21Å; L147-H150 PolarHBondContact O-N 2.89Å; L147-W151 WeakPolarHBondContact O-CB 3.21Å; L147-W151 PolarHBondContact O-N 3.24Å; L147-F206 HydrophobicContact CB-CE2 4.32Å; L147-F209 HydrophobicContact CD2-CE1 4.26Å; L147-Y210 HydrophobicContact CD1-CD2 4.48Å; L147-Y210 HydrophobicContact CD1-CE2 4.42Å; L147-T213 HydrophobicContact CD2-CG2 4.32Å; L147-M297 HydrophobicContact CD1-CE 3.57Å; L147-F758 HydrophobicContact CD2-CE2 4.02Å; L147-F758 HydrophobicContact CD2-CZ 4.41Å; L147-L857 HydrophobicContact CD2-CD2 3.71Å
148	K	95	Very high	93.6	Very high	51 Å²	51	27.7 Å²	27.7	22%	0.222	14%	0.138	C	C	.	.	H	α-helix	trans	-64.2	-42.7	174.9	-170.8	-178.5	176.6	-179.7	0	111.6	E43 Y44 M144 T145 C146 H150 W151 M152 F206	E43-K148 IonicContact OE1-NZ 3.38Å; Y44-K148 HydrophobicContact CE2-CD 4.46Å; Y44-K148 VanDerWaalsContact CE2-NZ 3.31Å; Y44-K148 PolarHBondContact OH-NZ 2.99Å; M144-K148 PolarHBondContact O-N 3.5Å; M144-K148 VanDerWaalsContact O-N 3.1Å; T145-K148 WeakPolarHBondContact O-CB 3.46Å; T145-K148 PolarHBondContact O-N 2.88Å; T145-K148 VanDerWaalsContact O-N 3.16Å; C146-K148 VanDerWaalsContact C-N 3.33Å; C146-K148 PolarHBondContact O-N 3.41Å; K148-H150 PolarHBondContact O-N 3.44Å; K148-W151 HydrophobicContact CG-CE3 4.02Å; K148-W151 HydrophobicContact CG-CZ3 4.47Å; K148-W151 WeakPolarHBondContact O-CB 3.36Å; K148-W151 PolarHBondContact O-N 3.18Å; K148-M152 HydrophobicContact CG-SD 4.26Å; K148-M152 WeakPolarHBondContact O-CG 3.36Å; K148-M152 PolarHBondContact O-N 2.93Å; K148-F206 VanDerWaalsContact CA-CE2 3.42Å; K148-F206 HydrophobicContact CB-CD2 4.08Å; K148-F206 HydrophobicContact CB-CE1 4.5Å; K148-F206 HydrophobicContact CB-CE2 3.74Å; K148-F206 HydrophobicContact CB-CZ 3.96Å; K148-F206 HydrophobicContact CG-CD2 4.09Å; K148-F206 HydrophobicContact CG-CE2 4.27Å; K148-F206 HydrophobicContact CG-CG 4.3Å
149	K	95	Very high	93.8	Very high	8 Å²	8	27.9 Å²	27.9	4%	0.035	14%	0.137	C	C	.	.	H	α-helix	trans	-59.5	-43.9	175.6	-176.8	177.7	172.2	-170.9	0	111.5	F46 F47 E61 S63 T145 C146 M152 R153	F46-K149 HydrophobicContact CB-CD 4.29Å; F46-K149 HydrophobicContact CB-CG 4.17Å; F46-K149 HydrophobicContact CD1-CD 3.9Å; F46-K149 HydrophobicContact CD1-CG 4.41Å; F46-K149 HydrophobicContact CD2-CB 4.07Å; F46-K149 HydrophobicContact CD2-CD 4.31Å; F46-K149 HydrophobicContact CD2-CG 3.94Å; F46-K149 HydrophobicContact CE1-CD 4.24Å; F46-K149 HydrophobicContact CE2-CB 4.1Å; F46-K149 HydrophobicContact CE2-CG 4.39Å; F46-K149 HydrophobicContact CG-CD 3.93Å; F46-K149 HydrophobicContact CG-CG 3.95Å; F47-K149 HydrophobicContact CE2-CG 3.58Å; F47-K149 VanDerWaalsContact CE2-O 3.26Å; F47-K149 WeakPolarHBondContact CE2-O 3.24Å; F47-K149 HydrophobicContact CZ-CD 4.4Å; F47-K149 HydrophobicContact CZ-CG 3.56Å; F47-K149 WeakPolarHBondContact CZ-O 3.48Å; E61-K149 VanDerWaalsContact CD-CE 3.47Å; E61-K149 WeakPolarHBondContact OE1-CE 2.82Å; E61-K149 IonicContact OE1-NZ 3.39Å; E61-K149 PolarHBondContact OE1-NZ 3.3Å; S63-K149 PolarHBondContact OG-NZ 3.13Å; S63-K149 VanDerWaalsContact OG-NZ 3.08Å; T145-K149 WeakPolarHBondContact O-CB 3.32Å; T145-K149 PolarHBondContact O-N 2.91Å; C146-K149 WeakPolarHBondContact O-CB 3.3Å; C146-K149 PolarHBondContact O-N 3.33Å; K149-M152 PolarHBondContact O-N 3.38Å; K149-R153 PolarHBondContact O-N 3.46Å
150	H	95.2	Very high	94	Very high	31 Å²	31	29.8 Å²	29.8	14%	0.144	15%	0.15	C	C	.	.	H	α-helix	trans	-66.7	-38.4	174.6	-173.8	77.8	0	0	0	113.2	C146 L147 K148 R153 M154 T172 L857	C146-H150 PolarHBondContact O-N 3.49Å; L147-H150 PolarHBondContact O-N 2.89Å; K148-H150 PolarHBondContact O-N 3.44Å; H150-R153 WeakPolarHBondContact O-CB 3.39Å; H150-R153 PolarHBondContact O-N 2.74Å; H150-M154 PolarHBondContact O-N 3.34Å; H150-M154 VanDerWaalsContact O-N 3.12Å; H150-T172 WeakPolarHBondContact NE2-CG2 3.4Å; H150-T172 PolarHBondContact NE2-OG1 3.37Å; H150-T172 VanDerWaalsContact NE2-OG1 3.13Å; H150-L857 HydrophobicContact CB-CD1 4.38Å; H150-L857 HydrophobicContact CB-CD2 3.67Å; H150-L857 HydrophobicContact CB-CG 4Å
151	W	95.7	Very high	94	Very high	45 Å²	45	34 Å²	34	17%	0.17	17%	0.173	C	C	.	.	H	α-helix	trans	-58.8	-51.1	172.7	167.6	72.2	0	0	0	111.7	L147 K148 R153 M154 C155 F204 F206 F209	L147-W151 WeakPolarHBondContact O-CB 3.21Å; L147-W151 PolarHBondContact O-N 3.24Å; K148-W151 HydrophobicContact CG-CE3 4.02Å; K148-W151 HydrophobicContact CG-CZ3 4.47Å; K148-W151 WeakPolarHBondContact O-CB 3.36Å; K148-W151 PolarHBondContact O-N 3.18Å; W151-R153 VanDerWaalsContact C-N 3.3Å; W151-R153 PolarHBondContact O-N 3.01Å; W151-M154 PolarHBondContact O-N 2.86Å; W151-C155 PolarHBondContact O-N 3.47Å; W151-C155 PolarHBondContact O-SG 3.37Å; W151-C155 VanDerWaalsContact O-SG 3.37Å; W151-F204 AromaticContact CD1-CD1 3.86Å; W151-F204 AromaticContact CD1-CE1 3.56Å; W151-F204 WeakPolarHBondContact CZ2-O 3.49Å; W151-F204 AromaticContact NE1-CD1 3.61Å; W151-F204 AromaticContact NE1-CE1 3.84Å; W151-F204 PolarHBondContact NE1-O 3.12Å; W151-F206 HydrophobicContact CB-CD2 3.97Å; W151-F206 HydrophobicContact CD2-CB 3.85Å; W151-F206 HydrophobicContact CD2-CD2 4.02Å; W151-F206 HydrophobicContact CD2-CG 4.41Å; W151-F206 HydrophobicContact CE3-CB 3.8Å; W151-F206 HydrophobicContact CE3-CD2 4.07Å; W151-F206 HydrophobicContact CE3-CG 4.29Å; W151-F206 HydrophobicContact CG-CB 4.49Å; W151-F206 AromaticContact CG-CD2 3.96Å; W151-F206 HydrophobicContact CG-CD2 3.96Å; W151-F206 HydrophobicContact CH2-CB 4.28Å; W151-F206 HydrophobicContact CZ2-CB 4.29Å; W151-F206 HydrophobicContact CZ3-CB 4.03Å; W151-F209 HydrophobicContact CB-CD1 3.62Å; W151-F209 HydrophobicContact CB-CE1 3.97Å; W151-F209 HydrophobicContact CB-CG 4.16Å; W151-F209 AromaticContact CD1-CG 3.82Å; W151-F209 HydrophobicContact CG-CB 4.21Å; W151-F209 HydrophobicContact CG-CD1 4.11Å; W151-F209 HydrophobicContact CG-CG 4.27Å
152	M	95.2	Very high	93.8	Very high	10 Å²	10	34.9 Å²	34.9	5%	0.049	18%	0.183	C	C	.	.	H	α-helix	trans	-57	-43.2	176.4	-67.4	174.9	71.4	0	0	111.6	D42 E43 Y44 F47 K148 K149 M154 C155 F156	D42-M152 HydrophobicContact CB-CE 3.73Å; D42-M152 WeakPolarHBondContact OD2-CE 3.41Å; E43-M152 HydrophobicContact CG-CE 4.43Å; Y44-M152 HydrophobicContact CD2-CE 3.79Å; Y44-M152 HydrophobicContact CD2-SD 3.72Å; Y44-M152 HydrophobicContact CE2-CE 4.02Å; Y44-M152 HydrophobicContact CE2-SD 3.83Å; F47-M152 HydrophobicContact CE2-CB 4.33Å; K148-M152 HydrophobicContact CG-SD 4.26Å; K148-M152 WeakPolarHBondContact O-CG 3.36Å; K148-M152 PolarHBondContact O-N 2.93Å; K149-M152 PolarHBondContact O-N 3.38Å; M152-M154 VanDerWaalsContact C-N 3.28Å; M152-M154 PolarHBondContact O-N 2.62Å; M152-C155 WeakPolarHBondContact O-CB 3.46Å; M152-C155 PolarHBondContact O-N 3.08Å; M152-F156 HydrophobicContact CB-CD2 4.49Å; M152-F156 HydrophobicContact CB-CE2 3.88Å; M152-F156 HydrophobicContact CB-CZ 4.25Å; M152-F156 HydrophobicContact CE-CE2 4.29Å; M152-F156 HydrophobicContact CE-CZ 4.01Å; M152-F156 WeakPolarHBondContact O-CD2 2.82Å; M152-F156 VanDerWaalsContact O-CG 3.27Å; M152-F156 WeakPolarHBondContact O-CG 3.42Å; M152-F156 PolarHBondContact O-N 3.32Å
153	R	95	Very high	93.9	Very high	82 Å²	82	37.4 Å²	37.4	31%	0.309	19%	0.192	S	C	.	.	H	α-helix	trans	-56.5	-39.7	175.2	-164.6	177.9	173.8	129.3	8.4	112.8	F47 V59 E61 K149 H150 W151 F156 L157	F47-R153 HydrophobicContact CE1-CB 4.17Å; F47-R153 HydrophobicContact CE1-CG 4.01Å; F47-R153 HydrophobicContact CE2-CB 4.13Å; F47-R153 HydrophobicContact CZ-CB 3.65Å; F47-R153 HydrophobicContact CZ-CG 4.01Å; V59-R153 HydrophobicContact CG1-CG 4.01Å; E61-R153 IonicContact OE2-CZ 3.59Å; E61-R153 IonicContact OE2-NH1 2.75Å; E61-R153 PolarHBondContact OE2-NH1 3.42Å; K149-R153 PolarHBondContact O-N 3.46Å; H150-R153 WeakPolarHBondContact O-CB 3.39Å; H150-R153 PolarHBondContact O-N 2.74Å; W151-R153 VanDerWaalsContact C-N 3.3Å; W151-R153 PolarHBondContact O-N 3.01Å; R153-F156 PolarHBondContact O-N 2.93Å; R153-L157 HydrophobicContact CG-CD1 4.18Å; R153-L157 WeakPolarHBondContact O-CB 3.43Å; R153-L157 VanDerWaalsContact O-CG 3.3Å; R153-L157 WeakPolarHBondContact O-CG 3.38Å; R153-L157 PolarHBondContact O-N 2.73Å; R153-L157 VanDerWaalsContact O-N 3.16Å
154	M	92.9	Very high	93.9	Very high	15 Å²	15	36.9 Å²	36.9	7%	0.074	19%	0.189	C	C	.	.	H	α-helix	trans	-71.9	-32.8	175.2	-67	-170.9	-62.6	0	0	112.8	H150 W151 M152 F156 I169 F204 F209	H150-M154 PolarHBondContact O-N 3.34Å; H150-M154 VanDerWaalsContact O-N 3.12Å; W151-M154 PolarHBondContact O-N 2.86Å; M152-M154 VanDerWaalsContact C-N 3.28Å; M152-M154 PolarHBondContact O-N 2.62Å; M154-F156 VanDerWaalsContact C-N 3.31Å; M154-I169 HydrophobicContact SD-CG1 4.2Å; M154-F204 HydrophobicContact CE-CE1 4.08Å; M154-F204 HydrophobicContact CE-CZ 4.13Å; M154-F209 HydrophobicContact CE-CD2 3.83Å; M154-F209 HydrophobicContact CE-CE2 3.45Å; M154-F209 VanDerWaalsContact CE-CE2 3.45Å; M154-F209 HydrophobicContact CE-CZ 3.91Å
155	C	94.1	Very high	93.8	Very high	19 Å²	19	37.5 Å²	37.5	13%	0.128	20%	0.195	C	C	.	.	H	α-helix	trans	-68.7	-28.3	174.3	-62.4	0	0	0	0	113.1	W151 M152 T158 I164	W151-C155 PolarHBondContact O-N 3.47Å; W151-C155 PolarHBondContact O-SG 3.37Å; W151-C155 VanDerWaalsContact O-SG 3.37Å; M152-C155 WeakPolarHBondContact O-CB 3.46Å; M152-C155 PolarHBondContact O-N 3.08Å; C155-T158 VanDerWaalsContact O-CG2 3.26Å; C155-T158 WeakPolarHBondContact O-CG2 3.49Å; C155-I164 HydrophobicContact CB-CD1 4.16Å
156	F	93.8	Very high	93.7	Very high	53 Å²	53	36.3 Å²	36.3	23%	0.232	19%	0.188	C	C	.	.	H	α-helix	trans	-84.8	-29.7	177.1	-56.3	-37.7	0	0	0	113.5	D42 F47 T49 V59 M152 R153 M154 T158	D42-F156 HydrophobicContact CB-CE2 3.98Å; D42-F156 HydrophobicContact CB-CZ 3.79Å; F47-F156 HydrophobicContact CB-CD2 4.33Å; F47-F156 HydrophobicContact CB-CE2 4.22Å; F47-F156 HydrophobicContact CD2-CD2 4.18Å; F47-F156 AromaticContact CD2-CE2 3.9Å; F47-F156 HydrophobicContact CD2-CE2 3.9Å; F47-F156 HydrophobicContact CG-CD2 4.38Å; F47-F156 HydrophobicContact CG-CE2 4.37Å; T49-F156 HydrophobicContact CG2-CB 3.85Å; T49-F156 HydrophobicContact CG2-CD1 4.01Å; T49-F156 HydrophobicContact CG2-CD2 3.41Å; T49-F156 VanDerWaalsContact CG2-CD2 3.41Å; T49-F156 HydrophobicContact CG2-CE1 4.42Å; T49-F156 HydrophobicContact CG2-CE2 3.87Å; T49-F156 HydrophobicContact CG2-CG 3.49Å; T49-F156 VanDerWaalsContact CG2-CG 3.49Å; T49-F156 HydrophobicContact CG2-CZ 4.36Å; V59-F156 HydrophobicContact CB-CB 4.48Å; V59-F156 HydrophobicContact CG2-CD2 4.38Å; M152-F156 HydrophobicContact CB-CD2 4.49Å; M152-F156 HydrophobicContact CB-CE2 3.88Å; M152-F156 HydrophobicContact CB-CZ 4.25Å; M152-F156 HydrophobicContact CE-CE2 4.29Å; M152-F156 HydrophobicContact CE-CZ 4.01Å; M152-F156 WeakPolarHBondContact O-CD2 2.82Å; M152-F156 VanDerWaalsContact O-CG 3.27Å; M152-F156 WeakPolarHBondContact O-CG 3.42Å; M152-F156 PolarHBondContact O-N 3.32Å; R153-F156 PolarHBondContact O-N 2.93Å; M154-F156 VanDerWaalsContact C-N 3.31Å; F156-T158 PolarHBondContact O-N 3.04Å
157	L	93.4	Very high	93.5	Very high	76 Å²	76	44 Å²	44	40%	0.398	22%	0.215	S	C	.	.	S	Bend	trans	-74.9	60.3	174.2	-71.9	170	0	0	0	112	V59 R153 P165	V59-L157 HydrophobicContact CG1-CD1 4.37Å; V59-L157 HydrophobicContact CG1-CD2 3.82Å; V59-L157 HydrophobicContact CG1-CG 3.88Å; R153-L157 HydrophobicContact CG-CD1 4.18Å; R153-L157 WeakPolarHBondContact O-CB 3.43Å; R153-L157 VanDerWaalsContact O-CG 3.3Å; R153-L157 WeakPolarHBondContact O-CG 3.38Å; R153-L157 PolarHBondContact O-N 2.73Å; R153-L157 VanDerWaalsContact O-N 3.16Å; L157-P165 WeakPolarHBondContact O-CD 3.48Å
158	T	93	Very high	93.2	Very high	18 Å²	18	45 Å²	45	11%	0.11	23%	0.228	C	C	.	.			trans	-80.2	154.4	178.5	61	0	0	0	0	112.2	E56 G57 C155 F156 G162 K163	E56-T158 CarbonylContact C-O 3.59Å; E56-T158 WeakPolarHBondContact CA-O 3.46Å; E56-T158 WeakPolarHBondContact CB-O 3.4Å; G57-T158 PolarHBondContact N-O 2.92Å; C155-T158 VanDerWaalsContact O-CG2 3.26Å; C155-T158 WeakPolarHBondContact O-CG2 3.49Å; F156-T158 PolarHBondContact O-N 3.04Å; T158-G162 WeakPolarHBondContact CG2-O 3.48Å; T158-K163 CarbonylContact C-O 3.51Å; T158-K163 VanDerWaalsContact CA-O 3.29Å; T158-K163 WeakPolarHBondContact CA-O 3.35Å
159	N	92.7	Very high	93	Very high	16 Å²	16	42.6 Å²	42.6	9%	0.086	22%	0.218	C	C	.	.			trans	-71.5	-177.1	168.7	69.7	-2.3	0	0	0	112.1	K51 N161 G162 K163 E198	K51-N159 PolarHBondContact NZ-O 2.84Å; N159-N161 PolarHBondContact O-N 3.34Å; N159-N161 WeakPolarHBondContact OD1-CA 3.48Å; N159-N161 WeakPolarHBondContact OD1-CB 3.38Å; N159-N161 PolarHBondContact OD1-N 3.35Å; N159-G162 PolarHBondContact O-N 2.69Å; N159-G162 PolarHBondContact OD1-N 2.98Å; N159-K163 PolarHBondContact N-O 3.07Å; N159-K163 PolarHBondContact OD1-N 3.41Å; N159-K163 PolarHBondContact OD1-O 3.28Å; N159-E198 PolarHBondContact ND2-OE1 2.81Å; N159-E198 PolarHBondContact ND2-OE2 3.33Å
160	V	91.7	Very high	92.8	Very high	73 Å²	73	42.6 Å²	42.6	44%	0.442	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-36.9	174	-175.1	0	0	0	0	112.1	K51 E56 G162	K51-V160 PolarHBondContact NZ-O 2.82Å; E56-V160 HydrophobicContact CG-CG2 4.21Å; V160-G162 PolarHBondContact O-N 3.3Å
161	N	90.6	Very high	92.5	Very high	109 Å²	109	48.6 Å²	48.6	58%	0.583	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-11.6	177.4	-55.3	-26.3	0	0	0	114.3	N159 K163 E198	N159-N161 PolarHBondContact O-N 3.34Å; N159-N161 WeakPolarHBondContact OD1-CA 3.48Å; N159-N161 WeakPolarHBondContact OD1-CB 3.38Å; N159-N161 PolarHBondContact OD1-N 3.35Å; N161-K163 HydrophobicContact CB-CG 4.37Å; N161-E198 PolarHBondContact ND2-OE1 3.18Å; N161-E198 PolarHBondContact ND2-OE2 3.38Å
162	G	89.7	Confident	92.2	Very high	25 Å²	25	47.4 Å²	47.4	26%	0.258	24%	0.238	S	C	.	.	S	Bend	trans	85.6	14.2	-175.4	0	0	0	0	0	114.7	T158 N159 V160	T158-G162 WeakPolarHBondContact CG2-O 3.48Å; N159-G162 PolarHBondContact O-N 2.69Å; N159-G162 PolarHBondContact OD1-N 2.98Å; V160-G162 PolarHBondContact O-N 3.3Å
163	K	93.9	Very high	92	Very high	64 Å²	64	46.9 Å²	46.9	28%	0.278	24%	0.235	S	C	.	.			trans	-107.7	159	-178.2	-57	-161.9	-178.9	-155.8	0	112.3	T158 N159 N161 P165 E198 E200	T158-K163 CarbonylContact C-O 3.51Å; T158-K163 VanDerWaalsContact CA-O 3.29Å; T158-K163 WeakPolarHBondContact CA-O 3.35Å; N159-K163 PolarHBondContact N-O 3.07Å; N159-K163 PolarHBondContact OD1-N 3.41Å; N159-K163 PolarHBondContact OD1-O 3.28Å; N161-K163 HydrophobicContact CB-CG 4.37Å; K163-P165 WeakPolarHBondContact O-CD 3.34Å; K163-E198 HydrophobicContact CB-CB 3.81Å; K163-E198 HydrophobicContact CD-CB 4.03Å; K163-E200 WeakPolarHBondContact CE-OE1 3.3Å; K163-E200 VanDerWaalsContact CE-OE2 3.24Å; K163-E200 WeakPolarHBondContact CE-OE2 3.4Å; K163-E200 IonicContact NZ-OE1 2.7Å; K163-E200 IonicContact NZ-OE2 3.83Å; K163-E200 PolarHBondContact NZ-OE2 2.76Å
164	I	94.6	Very high	91.6	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	117.3	-177.1	-55.7	173.3	0	0	0	109.2	C155 I169 I199 P201 F204	C155-I164 HydrophobicContact CB-CD1 4.16Å; I164-I169 HydrophobicContact CG2-CD1 4.09Å; I164-I169 HydrophobicContact CG2-CG1 4.37Å; I164-I199 HydrophobicContact CB-CB 4.39Å; I164-I199 PolarHBondContact N-O 2.75Å; I164-I199 PolarHBondContact O-N 3.32Å; I164-P201 HydrophobicContact CD1-CB 4.42Å; I164-P201 HydrophobicContact CG1-CG 4.39Å; I164-F204 HydrophobicContact CD1-CB 3.97Å; I164-F204 HydrophobicContact CD1-CD1 3.8Å; I164-F204 HydrophobicContact CD1-CG 4.25Å
165	P	94.3	Very high	91.3	Very high	41 Å²	41	44 Å²	44	27%	0.266	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	127.2	-178.1	29.2	-33.4	0	0	0	111.8	L157 K163 R167 G168	L157-P165 WeakPolarHBondContact O-CD 3.48Å; K163-P165 WeakPolarHBondContact O-CD 3.34Å; P165-R167 PolarHBondContact O-N 2.92Å; P165-G168 PolarHBondContact O-N 2.95Å
166	V	93	Very high	90.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-55.6	-30.4	178.4	167.5	0	0	0	0	112.5	G168 I169 T170 F183 L186 P192 G194 D197 I199	V166-G168 VanDerWaalsContact C-N 3.27Å; V166-G168 PolarHBondContact O-N 3.19Å; V166-I169 PolarHBondContact O-N 3.05Å; V166-T170 WeakPolarHBondContact O-CB 3.43Å; V166-T170 PolarHBondContact O-N 3.04Å; V166-T170 PolarHBondContact O-OG1 3.03Å; V166-F183 HydrophobicContact CG1-CD1 4.16Å; V166-F183 HydrophobicContact CG1-CE1 3.92Å; V166-L186 HydrophobicContact CG1-CD1 3.78Å; V166-P192 HydrophobicContact CG2-CB 4.48Å; V166-G194 WeakPolarHBondContact CG1-O 3.48Å; V166-D197 WeakPolarHBondContact CB-O 3.3Å; V166-D197 HydrophobicContact CG2-CB 3.91Å; V166-D197 WeakPolarHBondContact CG2-O 3.2Å; V166-D197 PolarHBondContact N-O 3.12Å; V166-I199 HydrophobicContact CG2-CD1 3.97Å; V166-I199 HydrophobicContact CG2-CG1 3.77Å
167	R	90.5	Very high	90.1	Very high	174 Å²	174	45.9 Å²	45.9	66%	0.657	24%	0.244	S	C	*	.	H	α-helix	trans	-58.9	-32.5	173.7	-172.3	179.8	179	-162.5	-0.1	113.6	P165 R171	P165-R167 PolarHBondContact O-N 2.92Å; R167-R171 PolarHBondContact O-N 3.11Å
168	G	88	Confident	89.8	Confident	33 Å²	33	46.4 Å²	46.4	34%	0.34	25%	0.251	S	S	.	.	H	α-helix	trans	-68.4	-53.1	176.4	0	0	0	0	0	111.5	P165 V166 T170 R171	P165-G168 PolarHBondContact O-N 2.95Å; V166-G168 VanDerWaalsContact C-N 3.27Å; V166-G168 PolarHBondContact O-N 3.19Å; G168-T170 VanDerWaalsContact C-N 3.25Å; G168-T170 PolarHBondContact O-N 2.89Å; G168-R171 WeakPolarHBondContact O-CB 3.32Å; G168-R171 PolarHBondContact O-N 2.92Å; G168-R171 VanDerWaalsContact O-N 3.09Å
169	I	91.2	Very high	89.5	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-55.8	-43.3	175.4	-59.2	165.9	0	0	0	110.4	M154 I164 V166 R171 T172 F173 L186 I199 F204 L212	M154-I169 HydrophobicContact SD-CG1 4.2Å; I164-I169 HydrophobicContact CG2-CD1 4.09Å; I164-I169 HydrophobicContact CG2-CG1 4.37Å; V166-I169 PolarHBondContact O-N 3.05Å; I169-R171 VanDerWaalsContact C-N 3.27Å; I169-R171 PolarHBondContact O-N 3.32Å; I169-T172 WeakPolarHBondContact O-CB 3.33Å; I169-T172 PolarHBondContact O-N 2.83Å; I169-F173 HydrophobicContact CG2-CD2 4.45Å; I169-F173 HydrophobicContact CG2-CE2 4.02Å; I169-F173 WeakPolarHBondContact O-CD2 3.35Å; I169-L186 HydrophobicContact CG2-CD2 4.37Å; I169-I199 HydrophobicContact CD1-CD1 3.59Å; I169-F204 HydrophobicContact CD1-CD2 4.23Å; I169-F204 HydrophobicContact CD1-CE1 4.14Å; I169-F204 HydrophobicContact CD1-CE2 3.72Å; I169-F204 HydrophobicContact CD1-CZ 3.66Å; I169-F204 HydrophobicContact CG1-CE1 4.39Å; I169-F204 HydrophobicContact CG1-CE2 4.46Å; I169-F204 HydrophobicContact CG1-CZ 3.95Å; I169-L212 HydrophobicContact CG2-CD2 3.78Å
170	T	89.9	Confident	89.4	Confident	8 Å²	8	57.5 Å²	57.5	5%	0.049	30%	0.298	C	S	.	.	H	α-helix	trans	-60.4	-33.4	179.9	-54.8	0	0	0	0	113	V166 G168 F173 A174 E179 I182 F183	V166-T170 WeakPolarHBondContact O-CB 3.43Å; V166-T170 PolarHBondContact O-N 3.04Å; V166-T170 PolarHBondContact O-OG1 3.03Å; G168-T170 VanDerWaalsContact C-N 3.25Å; G168-T170 PolarHBondContact O-N 2.89Å; T170-F173 PolarHBondContact O-N 3.33Å; T170-A174 PolarHBondContact O-N 3.38Å; T170-E179 HydrophobicContact CG2-CB 4.45Å; T170-E179 HydrophobicContact CG2-CG 4.08Å; T170-I182 HydrophobicContact CG2-CD1 3.95Å; T170-I182 HydrophobicContact CG2-CG2 4.45Å; T170-F183 HydrophobicContact CG2-CE1 4.19Å; T170-F183 HydrophobicContact CG2-CZ 4.47Å; T170-F183 WeakPolarHBondContact OG1-CE1 3.45Å
171	R	89.6	Confident	89.3	Confident	156 Å²	156	55.7 Å²	55.7	59%	0.589	29%	0.294	S	S	*	.	H	α-helix	trans	-64.7	-40.6	177.9	-165.5	-174	-60.6	-160.5	6	112	R167 G168 I169 F173 A174	R167-R171 PolarHBondContact O-N 3.11Å; G168-R171 WeakPolarHBondContact O-CB 3.32Å; G168-R171 PolarHBondContact O-N 2.92Å; G168-R171 VanDerWaalsContact O-N 3.09Å; I169-R171 VanDerWaalsContact C-N 3.27Å; I169-R171 PolarHBondContact O-N 3.32Å; R171-F173 PolarHBondContact O-N 3.02Å; R171-A174 WeakPolarHBondContact O-CB 3.29Å; R171-A174 PolarHBondContact O-N 3.17Å; R171-A174 VanDerWaalsContact O-N 3.16Å
172	T	89.1	Confident	89.3	Confident	20 Å²	20	50.5 Å²	50.5	12%	0.123	27%	0.267	C	S	.	.	H	α-helix	trans	-54.3	-28.3	-179.7	-56.5	0	0	0	0	113.3	H150 I169 F758 L857	H150-T172 WeakPolarHBondContact NE2-CG2 3.4Å; H150-T172 PolarHBondContact NE2-OG1 3.37Å; H150-T172 VanDerWaalsContact NE2-OG1 3.13Å; I169-T172 WeakPolarHBondContact O-CB 3.33Å; I169-T172 PolarHBondContact O-N 2.83Å; T172-F758 HydrophobicContact CG2-CD1 4.44Å; T172-F758 HydrophobicContact CG2-CE1 4.26Å; T172-L857 HydrophobicContact CG2-CD1 4.09Å
173	F	91.1	Very high	89.5	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	2.3	-175.2	-56.2	-72	0	0	0	114.3	I169 T170 R171 S175 G176 K177 I182 F209 L212 T213 I216 F758 L794	I169-F173 HydrophobicContact CG2-CD2 4.45Å; I169-F173 HydrophobicContact CG2-CE2 4.02Å; I169-F173 WeakPolarHBondContact O-CD2 3.35Å; T170-F173 PolarHBondContact O-N 3.33Å; R171-F173 PolarHBondContact O-N 3.02Å; F173-S175 PolarHBondContact O-N 3.39Å; F173-G176 PolarHBondContact O-N 2.75Å; F173-K177 PolarHBondContact O-N 3.39Å; F173-I182 HydrophobicContact CB-CD1 3.73Å; F173-I182 HydrophobicContact CB-CG1 3.99Å; F173-I182 HydrophobicContact CD2-CG2 4.44Å; F173-F209 HydrophobicContact CE2-CE2 4.38Å; F173-F209 AromaticContact CZ-CE2 3.88Å; F173-F209 HydrophobicContact CZ-CE2 3.88Å; F173-L212 HydrophobicContact CE2-CD2 3.88Å; F173-L212 HydrophobicContact CE2-CG 4.24Å; F173-L212 HydrophobicContact CZ-CD2 4.3Å; F173-L212 HydrophobicContact CZ-CG 4.33Å; F173-T213 HydrophobicContact CE1-CG2 4.05Å; F173-T213 HydrophobicContact CZ-CG2 3.95Å; F173-I216 HydrophobicContact CB-CD1 4.39Å; F173-I216 HydrophobicContact CB-CG2 3.84Å; F173-I216 HydrophobicContact CD1-CB 4.14Å; F173-I216 HydrophobicContact CD1-CD1 4.19Å; F173-I216 HydrophobicContact CD1-CG2 3.47Å; F173-I216 VanDerWaalsContact CD1-CG2 3.47Å; F173-I216 HydrophobicContact CD2-CD1 3.76Å; F173-I216 HydrophobicContact CE1-CB 4.34Å; F173-I216 HydrophobicContact CE1-CD1 4.38Å; F173-I216 HydrophobicContact CE1-CG2 4.15Å; F173-I216 HydrophobicContact CE2-CD1 3.98Å; F173-I216 HydrophobicContact CG-CD1 3.86Å; F173-I216 HydrophobicContact CG-CG2 3.76Å; F173-I216 HydrophobicContact CZ-CD1 4.27Å; F173-F758 AromaticContact CD1-CE1 3.95Å; F173-F758 HydrophobicContact CD1-CE1 3.95Å; F173-F758 AromaticContact CE1-CE1 3.71Å; F173-F758 HydrophobicContact CE1-CE1 3.71Å; F173-F758 HydrophobicContact CE1-CZ 4.08Å; F173-L794 HydrophobicContact CD1-CD1 4.21Å; F173-L794 HydrophobicContact CD1-CD2 4.47Å
174	A	86	Confident	89.5	Confident	36 Å²	36	52.4 Å²	52.4	30%	0.298	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-22.7	-170.4	0	0	0	0	0	113.9	T170 R171 K763	T170-A174 PolarHBondContact O-N 3.38Å; R171-A174 WeakPolarHBondContact O-CB 3.29Å; R171-A174 PolarHBondContact O-N 3.17Å; R171-A174 VanDerWaalsContact O-N 3.16Å; A174-K763 WeakPolarHBondContact O-CE 3.42Å
175	S	86.2	Confident	89.5	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-22.6	-179.4	49.1	0	0	0	0	115.3	F173 S760 D761 K762 L794	F173-S175 PolarHBondContact O-N 3.39Å; S175-S760 WeakPolarHBondContact CB-O 3.25Å; S175-S760 PolarHBondContact OG-O 3.44Å; S175-D761 PolarHBondContact N-O 2.82Å; S175-K762 WeakPolarHBondContact CB-O 3.17Å; S175-L794 WeakPolarHBondContact OG-CB 3.44Å; S175-L794 PolarHBondContact OG-N 3.18Å
176	G	79.4	Confident	89.5	Confident	26 Å²	26	50.6 Å²	50.6	27%	0.268	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-26	-174.8	0	0	0	0	0	115.7	F173	F173-G176 PolarHBondContact O-N 2.75Å
177	K	84.3	Confident	89.6	Confident	86 Å²	86	56.8 Å²	56.8	37%	0.374	29%	0.285	S	S	.	.	S	Bend	trans	-117.1	-173.7	178.4	-63.6	-58.7	-177.3	176.7	0	112	F173 I182 I216 K763	F173-K177 PolarHBondContact O-N 3.39Å; K177-I182 HydrophobicContact CB-CG1 4.14Å; K177-I216 WeakPolarHBondContact CE-O 3.41Å; K177-I216 HydrophobicContact CG-CG2 3.82Å; K177-K763 PolarHBondContact O-NZ 2.94Å
178	T	86.5	Confident	89.8	Confident	87 Å²	87	52.4 Å²	52.4	53%	0.534	28%	0.275	S	S	.	.			trans	-104.2	152.9	170.2	58.1	0	0	0	0	108.9	K180 G181 I182	T178-K180 PolarHBondContact O-N 2.96Å; T178-G181 PolarHBondContact O-N 2.82Å; T178-G181 PolarHBondContact OG1-N 3.3Å; T178-I182 PolarHBondContact O-N 2.91Å; T178-I182 VanDerWaalsContact O-N 3.12Å
179	E	87.5	Confident	90.1	Very high	91 Å²	91	53.5 Å²	53.5	43%	0.425	27%	0.273	S	S	.	.	H	α-helix	trans	-50	-44.5	176.1	-64.9	-170.4	154.7	0	0	111.3	T170 G181 I182 F183 K195	T170-E179 HydrophobicContact CG2-CB 4.45Å; T170-E179 HydrophobicContact CG2-CG 4.08Å; E179-G181 VanDerWaalsContact C-N 3.32Å; E179-G181 PolarHBondContact O-N 3.46Å; E179-I182 PolarHBondContact O-N 3.47Å; E179-I182 VanDerWaalsContact O-N 3.11Å; E179-F183 HydrophobicContact CB-CD2 4.32Å; E179-F183 HydrophobicContact CB-CE2 3.72Å; E179-F183 HydrophobicContact CB-CZ 3.98Å; E179-F183 VanDerWaalsContact O-CD2 3.24Å; E179-F183 WeakPolarHBondContact O-CD2 2.86Å; E179-F183 WeakPolarHBondContact O-CG 3.35Å; E179-F183 PolarHBondContact O-N 2.7Å; E179-K195 IonicContact OE1-NZ 2.71Å; E179-K195 PolarHBondContact OE1-NZ 2.97Å; E179-K195 IonicContact OE2-NZ 3.58Å; E179-K195 PolarHBondContact OE2-NZ 3.48Å
180	K	89.7	Confident	90.2	Very high	175 Å²	175	56.9 Å²	56.9	76%	0.761	31%	0.307	S	S	*	.	H	α-helix	trans	-56.4	-39.8	176.1	-66.3	-172.2	176.8	-174.5	0	113.8	T178 Q184	T178-K180 PolarHBondContact O-N 2.96Å; K180-Q184 WeakPolarHBondContact O-CB 3.43Å; K180-Q184 PolarHBondContact O-N 3.35Å
181	G	89.9	Confident	90.4	Very high	35 Å²	35	57 Å²	57	36%	0.361	31%	0.308	S	S	.	.	H	α-helix	trans	-70.7	-35	177.5	0	0	0	0	0	112.8	T178 E179 A185	T178-G181 PolarHBondContact O-N 2.82Å; T178-G181 PolarHBondContact OG1-N 3.3Å; E179-G181 VanDerWaalsContact C-N 3.32Å; E179-G181 PolarHBondContact O-N 3.46Å; G181-A185 WeakPolarHBondContact O-CB 3.47Å; G181-A185 PolarHBondContact O-N 3.37Å
182	I	91.6	Very high	90.5	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-69.9	-45.5	176.1	-59.5	160.3	0	0	0	110	T170 F173 K177 T178 E179 Q184 A185 L186 I216	T170-I182 HydrophobicContact CG2-CD1 3.95Å; T170-I182 HydrophobicContact CG2-CG2 4.45Å; F173-I182 HydrophobicContact CB-CD1 3.73Å; F173-I182 HydrophobicContact CB-CG1 3.99Å; F173-I182 HydrophobicContact CD2-CG2 4.44Å; K177-I182 HydrophobicContact CB-CG1 4.14Å; T178-I182 PolarHBondContact O-N 2.91Å; T178-I182 VanDerWaalsContact O-N 3.12Å; E179-I182 PolarHBondContact O-N 3.47Å; E179-I182 VanDerWaalsContact O-N 3.11Å; I182-Q184 VanDerWaalsContact C-N 3.34Å; I182-Q184 PolarHBondContact O-N 2.87Å; I182-A185 PolarHBondContact O-N 2.91Å; I182-A185 VanDerWaalsContact O-N 3.14Å; I182-L186 HydrophobicContact CG2-CD1 4.41Å; I182-L186 WeakPolarHBondContact O-CG 3.31Å; I182-L186 PolarHBondContact O-N 2.96Å; I182-I216 HydrophobicContact CB-CD1 4.4Å; I182-I216 HydrophobicContact CG1-CD1 4.27Å; I182-I216 HydrophobicContact CG2-CD1 4Å
183	F	94.1	Very high	90.6	Very high	34 Å²	34	52.2 Å²	52.2	15%	0.149	30%	0.298	C	S	.	.	H	α-helix	trans	-60.2	-40.3	175.1	-60.4	-30.8	0	0	0	112.4	V166 T170 E179 L186 K187 S193 K195	V166-F183 HydrophobicContact CG1-CD1 4.16Å; V166-F183 HydrophobicContact CG1-CE1 3.92Å; T170-F183 HydrophobicContact CG2-CE1 4.19Å; T170-F183 HydrophobicContact CG2-CZ 4.47Å; T170-F183 WeakPolarHBondContact OG1-CE1 3.45Å; E179-F183 HydrophobicContact CB-CD2 4.32Å; E179-F183 HydrophobicContact CB-CE2 3.72Å; E179-F183 HydrophobicContact CB-CZ 3.98Å; E179-F183 VanDerWaalsContact O-CD2 3.24Å; E179-F183 WeakPolarHBondContact O-CD2 2.86Å; E179-F183 WeakPolarHBondContact O-CG 3.35Å; E179-F183 PolarHBondContact O-N 2.7Å; F183-L186 PolarHBondContact O-N 2.74Å; F183-K187 WeakPolarHBondContact O-CB 3.13Å; F183-K187 PolarHBondContact O-N 2.97Å; F183-S193 VanDerWaalsContact CB-O 3.3Å; F183-S193 WeakPolarHBondContact CB-O 3.47Å; F183-S193 WeakPolarHBondContact CD1-O 3.3Å; F183-S193 WeakPolarHBondContact CG-O 3.47Å; F183-S193 VanDerWaalsContact O-CB 3.29Å; F183-S193 WeakPolarHBondContact O-CB 3.33Å; F183-K195 HydrophobicContact CE2-CB 4.4Å; F183-K195 HydrophobicContact CZ-CB 3.93Å; F183-K195 HydrophobicContact CZ-CG 4.14Å
184	Q	93.9	Very high	90.5	Very high	94 Å²	94	53.4 Å²	53.4	44%	0.439	31%	0.31	S	S	.	.	H	α-helix	trans	-65.5	-40.6	173.6	-170.4	65.4	52.7	0	0	111.9	K180 I182 L186 K187 D188	K180-Q184 WeakPolarHBondContact O-CB 3.43Å; K180-Q184 PolarHBondContact O-N 3.35Å; I182-Q184 VanDerWaalsContact C-N 3.34Å; I182-Q184 PolarHBondContact O-N 2.87Å; Q184-L186 PolarHBondContact O-N 3.3Å; Q184-K187 PolarHBondContact O-N 3.34Å; Q184-D188 PolarHBondContact NE2-OD1 2.97Å; Q184-D188 WeakPolarHBondContact O-CB 3.45Å; Q184-D188 PolarHBondContact O-N 3.43Å
185	A	94.2	Very high	90.5	Very high	5 Å²	5	56.3 Å²	56.3	4%	0.041	32%	0.316	C	S	.	.	H	α-helix	trans	-64.4	-38	177.2	0	0	0	0	0	112.8	G181 I182 L189 L212 K215 I216	G181-A185 WeakPolarHBondContact O-CB 3.47Å; G181-A185 PolarHBondContact O-N 3.37Å; I182-A185 PolarHBondContact O-N 2.91Å; I182-A185 VanDerWaalsContact O-N 3.14Å; A185-L189 WeakPolarHBondContact O-CG 3.39Å; A185-L189 PolarHBondContact O-N 3.46Å; A185-L212 HydrophobicContact CB-CD1 3.9Å; A185-K215 HydrophobicContact CB-CD 4.32Å; A185-K215 HydrophobicContact CB-CG 4.25Å; A185-I216 HydrophobicContact CB-CD1 4.05Å; A185-I216 HydrophobicContact CB-CG1 3.74Å
186	L	94.5	Very high	90.7	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-62.8	-50.7	171.3	-71.9	168.9	0	0	0	111.4	V166 I169 I182 F183 Q184 D188 L189 G190 L191 L212	V166-L186 HydrophobicContact CG1-CD1 3.78Å; I169-L186 HydrophobicContact CG2-CD2 4.37Å; I182-L186 HydrophobicContact CG2-CD1 4.41Å; I182-L186 WeakPolarHBondContact O-CG 3.31Å; I182-L186 PolarHBondContact O-N 2.96Å; F183-L186 PolarHBondContact O-N 2.74Å; Q184-L186 PolarHBondContact O-N 3.3Å; L186-D188 VanDerWaalsContact C-N 3.31Å; L186-D188 PolarHBondContact O-N 3.05Å; L186-L189 CarbonylContact O-C 3.48Å; L186-L189 WeakPolarHBondContact O-CA 3.29Å; L186-L189 PolarHBondContact O-N 2.98Å; L186-G190 PolarHBondContact O-N 3.25Å; L186-L191 HydrophobicContact CB-CB 4.25Å; L186-L191 HydrophobicContact CD2-CB 4.24Å; L186-L191 HydrophobicContact CD2-CD1 3.67Å; L186-L191 PolarHBondContact O-N 2.83Å; L186-L212 HydrophobicContact CD2-CD1 3.93Å; L186-L212 HydrophobicContact CD2-CD2 3.7Å; L186-L212 HydrophobicContact CD2-CG 4.49Å; L186-L212 HydrophobicContact CG-CD1 4.2Å
187	K	94.6	Very high	91.4	Very high	130 Å²	130	64.9 Å²	64.9	57%	0.565	36%	0.356	S	S	*	.	H	α-helix	trans	-58	-42.1	179.6	-177.3	178.1	176.6	179.7	0	112.6	F183 Q184 L189 G190	F183-K187 WeakPolarHBondContact O-CB 3.13Å; F183-K187 PolarHBondContact O-N 2.97Å; Q184-K187 PolarHBondContact O-N 3.34Å; K187-L189 PolarHBondContact O-N 3.47Å; K187-G190 PolarHBondContact O-N 3.47Å
188	D	94.6	Very high	91.8	Very high	83 Å²	83	64.3 Å²	64.3	44%	0.444	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-16.4	178.5	-67.9	-7.5	0	0	0	113.4	Q184 L186 K215	Q184-D188 PolarHBondContact NE2-OD1 2.97Å; Q184-D188 WeakPolarHBondContact O-CB 3.45Å; Q184-D188 PolarHBondContact O-N 3.43Å; L186-D188 VanDerWaalsContact C-N 3.31Å; L186-D188 PolarHBondContact O-N 3.05Å; D188-K215 VanDerWaalsContact CG-NZ 3.32Å; D188-K215 VanDerWaalsContact OD2-CE 3.31Å; D188-K215 WeakPolarHBondContact OD2-CE 3.42Å; D188-K215 IonicContact OD2-NZ 3.18Å; D188-K215 PolarHBondContact OD2-NZ 3.22Å
189	L	93.9	Very high	92.2	Very high	56 Å²	56	60.1 Å²	60.1	29%	0.293	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	9.7	172.2	-66.2	173.1	0	0	0	112.2	A185 L186 K187 L191 A211 L212	A185-L189 WeakPolarHBondContact O-CG 3.39Å; A185-L189 PolarHBondContact O-N 3.46Å; L186-L189 CarbonylContact O-C 3.48Å; L186-L189 WeakPolarHBondContact O-CA 3.29Å; L186-L189 PolarHBondContact O-N 2.98Å; K187-L189 PolarHBondContact O-N 3.47Å; L189-L191 VanDerWaalsContact C-N 3.3Å; L189-L191 PolarHBondContact O-N 3.3Å; L189-A211 HydrophobicContact CD1-CB 4.3Å; L189-A211 HydrophobicContact CD2-CB 4.01Å; L189-L212 HydrophobicContact CD1-CB 3.72Å; L189-L212 HydrophobicContact CD1-CD1 3.91Å; L189-L212 HydrophobicContact CD1-CG 4.44Å
190	G	93.2	Very high	92.5	Very high	71 Å²	71	59.3 Å²	59.3	73%	0.732	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	4.4	179.4	0	0	0	0	0	115.1	L186 K187	L186-G190 PolarHBondContact O-N 3.25Å; K187-G190 PolarHBondContact O-N 3.47Å
191	L	94.1	Very high	92.6	Very high	12 Å²	12	53.6 Å²	53.6	6%	0.063	31%	0.306	C	S	.	.			trans	-85.3	153.9	-176.5	-65.1	176.5	0	0	0	113	L186 L189 I199 F204 I208	L186-L191 HydrophobicContact CB-CB 4.25Å; L186-L191 HydrophobicContact CD2-CB 4.24Å; L186-L191 HydrophobicContact CD2-CD1 3.67Å; L186-L191 PolarHBondContact O-N 2.83Å; L189-L191 VanDerWaalsContact C-N 3.3Å; L189-L191 PolarHBondContact O-N 3.3Å; L191-I199 HydrophobicContact CB-CD1 4.29Å; L191-I199 HydrophobicContact CD1-CD1 4.31Å; L191-I199 HydrophobicContact CD2-CD1 4.5Å; L191-I199 HydrophobicContact CD2-CG2 4.04Å; L191-F204 HydrophobicContact CD1-CD2 3.85Å; L191-F204 HydrophobicContact CD1-CE2 4.14Å; L191-I208 HydrophobicContact CD1-CG2 3.78Å; L191-I208 HydrophobicContact CD2-CG2 4.41Å; L191-I208 HydrophobicContact CG-CG2 4.27Å
192	P	92.7	Very high	92.8	Very high	43 Å²	43	55.7 Å²	55.7	28%	0.279	32%	0.315	S	S	.	.			trans	-51.9	143.3	164.5	-22.9	32.7	0	0	0	111.6	V166 D197 I199	V166-P192 HydrophobicContact CG2-CB 4.48Å; P192-D197 HydrophobicContact CB-CB 3.72Å; P192-I199 HydrophobicContact CB-CG1 4.22Å; P192-I199 HydrophobicContact CG-CG1 4.1Å
193	S	91	Very high	92.9	Very high	31 Å²	31	59.8 Å²	59.8	22%	0.217	34%	0.337	C	S	.	.			trans	-148.5	-2.5	-161.1	50	0	0	0	0	115.3	F183 D197	F183-S193 VanDerWaalsContact CB-O 3.3Å; F183-S193 WeakPolarHBondContact CB-O 3.47Å; F183-S193 WeakPolarHBondContact CD1-O 3.3Å; F183-S193 WeakPolarHBondContact CG-O 3.47Å; F183-S193 VanDerWaalsContact O-CB 3.29Å; F183-S193 WeakPolarHBondContact O-CB 3.33Å; S193-D197 PolarHBondContact N-OD2 3.01Å
194	G	88.9	Confident	92.9	Very high	26 Å²	26	58.1 Å²	58.1	27%	0.268	33%	0.33	S	S	.	.	S	Bend	trans	-71.4	156	163.8	0	0	0	0	0	112.1	V166 N196 D197	V166-G194 WeakPolarHBondContact CG1-O 3.48Å; G194-N196 PolarHBondContact O-N 2.72Å; G194-D197 WeakPolarHBondContact CA-OD1 3.42Å; G194-D197 WeakPolarHBondContact CA-OD2 3.32Å; G194-D197 PolarHBondContact N-OD1 3.06Å; G194-D197 PolarHBondContact N-OD2 3.15Å; G194-D197 WeakPolarHBondContact O-CB 3.32Å; G194-D197 PolarHBondContact O-N 3.47Å; G194-D197 VanDerWaalsContact O-N 3.1Å
195	K	86.6	Confident	93	Very high	96 Å²	96	56.6 Å²	56.6	42%	0.417	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-26.3	-171	-173.7	163.1	-169.3	152.2	0	114.5	E179 F183	E179-K195 IonicContact OE1-NZ 2.71Å; E179-K195 PolarHBondContact OE1-NZ 2.97Å; E179-K195 IonicContact OE2-NZ 3.58Å; E179-K195 PolarHBondContact OE2-NZ 3.48Å; F183-K195 HydrophobicContact CE2-CB 4.4Å; F183-K195 HydrophobicContact CZ-CB 3.93Å; F183-K195 HydrophobicContact CZ-CG 4.14Å
196	N	90.2	Very high	93	Very high	143 Å²	143	57.9 Å²	57.9	77%	0.765	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.1	13.3	179.7	-59.4	-6.8	0	0	0	111.3	G194	G194-N196 PolarHBondContact O-N 2.72Å
197	D	93.3	Very high	93	Very high	63 Å²	63	61.4 Å²	61.4	34%	0.337	35%	0.35	S	S	.	.			trans	-72.5	155.6	178.2	-66.4	17.2	0	0	0	110.5	V166 P192 S193 G194	V166-D197 WeakPolarHBondContact CB-O 3.3Å; V166-D197 HydrophobicContact CG2-CB 3.91Å; V166-D197 WeakPolarHBondContact CG2-O 3.2Å; V166-D197 PolarHBondContact N-O 3.12Å; P192-D197 HydrophobicContact CB-CB 3.72Å; S193-D197 PolarHBondContact N-OD2 3.01Å; G194-D197 WeakPolarHBondContact CA-OD1 3.42Å; G194-D197 WeakPolarHBondContact CA-OD2 3.32Å; G194-D197 PolarHBondContact N-OD1 3.06Å; G194-D197 PolarHBondContact N-OD2 3.15Å; G194-D197 WeakPolarHBondContact O-CB 3.32Å; G194-D197 PolarHBondContact O-N 3.47Å; G194-D197 VanDerWaalsContact O-N 3.1Å
198	E	93.7	Very high	93	Very high	74 Å²	74	57.7 Å²	57.7	35%	0.346	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	131.4	-177.9	-53.3	-175.1	179.4	0	0	108.4	N159 N161 K163	N159-E198 PolarHBondContact ND2-OE1 2.81Å; N159-E198 PolarHBondContact ND2-OE2 3.33Å; N161-E198 PolarHBondContact ND2-OE1 3.18Å; N161-E198 PolarHBondContact ND2-OE2 3.38Å; K163-E198 HydrophobicContact CB-CB 3.81Å; K163-E198 HydrophobicContact CD-CB 4.03Å
199	I	94.9	Very high	93.1	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	137	178.5	-44	-173.6	0	0	0	109.3	I164 V166 I169 L191 P192 D203 F204	I164-I199 HydrophobicContact CB-CB 4.39Å; I164-I199 PolarHBondContact N-O 2.75Å; I164-I199 PolarHBondContact O-N 3.32Å; V166-I199 HydrophobicContact CG2-CD1 3.97Å; V166-I199 HydrophobicContact CG2-CG1 3.77Å; I169-I199 HydrophobicContact CD1-CD1 3.59Å; L191-I199 HydrophobicContact CB-CD1 4.29Å; L191-I199 HydrophobicContact CD1-CD1 4.31Å; L191-I199 HydrophobicContact CD2-CD1 4.5Å; L191-I199 HydrophobicContact CD2-CG2 4.04Å; P192-I199 HydrophobicContact CB-CG1 4.22Å; P192-I199 HydrophobicContact CG-CG1 4.1Å; I199-D203 HydrophobicContact CG2-CB 4.32Å; I199-F204 HydrophobicContact CD1-CD2 4.38Å; I199-F204 HydrophobicContact CG2-CB 4.07Å
200	E	93.9	Very high	93.1	Very high	74 Å²	74	51.4 Å²	51.4	35%	0.346	30%	0.302	S	S	.	.			trans	-68.6	135.4	172.6	-147.9	66.6	-117.7	0	0	110.4	K163 S202 D203 F204	K163-E200 WeakPolarHBondContact CE-OE1 3.3Å; K163-E200 VanDerWaalsContact CE-OE2 3.24Å; K163-E200 WeakPolarHBondContact CE-OE2 3.4Å; K163-E200 IonicContact NZ-OE1 2.7Å; K163-E200 IonicContact NZ-OE2 3.83Å; K163-E200 PolarHBondContact NZ-OE2 2.76Å; E200-S202 WeakPolarHBondContact CG-OG 3.35Å; E200-S202 PolarHBondContact O-N 3.01Å; E200-S202 VanDerWaalsContact O-N 3.12Å; E200-D203 HydrophobicContact CB-CB 4.47Å; E200-D203 PolarHBondContact O-N 3.01Å; E200-F204 PolarHBondContact O-N 2.85Å
201	P	91.3	Very high	93.1	Very high	55 Å²	55	49.9 Å²	49.9	36%	0.357	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-25.2	-179.5	-27.2	35.7	0	0	0	114.8	I164 D203	I164-P201 HydrophobicContact CD1-CB 4.42Å; I164-P201 HydrophobicContact CG1-CG 4.39Å; P201-D203 VanDerWaalsContact C-N 3.32Å
202	S	92.9	Very high	93.2	Very high	79 Å²	79	49.3 Å²	49.3	55%	0.552	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-34.4	173.2	48	0	0	0	0	113.6	E200	E200-S202 WeakPolarHBondContact CG-OG 3.35Å; E200-S202 PolarHBondContact O-N 3.01Å; E200-S202 VanDerWaalsContact O-N 3.12Å
203	D	93.4	Very high	93.2	Very high	86 Å²	86	47.6 Å²	47.6	46%	0.46	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-21.9	-166.5	-57.3	0.4	0	0	0	110.7	I199 E200 P201 T205 I208	I199-D203 HydrophobicContact CG2-CB 4.32Å; E200-D203 HydrophobicContact CB-CB 4.47Å; E200-D203 PolarHBondContact O-N 3.01Å; P201-D203 VanDerWaalsContact C-N 3.32Å; D203-T205 PolarHBondContact O-N 3.35Å; D203-I208 VanDerWaalsContact O-CD1 3.25Å; D203-I208 WeakPolarHBondContact O-CD1 3.48Å
204	F	95.3	Very high	93.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.269	C	S	.	.	S	Bend	trans	-94.3	60.8	-179.8	-166.6	-117.7	0	0	0	112	W151 M154 I164 I169 L191 I199 E200 F209 L212	W151-F204 AromaticContact CD1-CD1 3.86Å; W151-F204 AromaticContact CD1-CE1 3.56Å; W151-F204 WeakPolarHBondContact CZ2-O 3.49Å; W151-F204 AromaticContact NE1-CD1 3.61Å; W151-F204 AromaticContact NE1-CE1 3.84Å; W151-F204 PolarHBondContact NE1-O 3.12Å; M154-F204 HydrophobicContact CE-CE1 4.08Å; M154-F204 HydrophobicContact CE-CZ 4.13Å; I164-F204 HydrophobicContact CD1-CB 3.97Å; I164-F204 HydrophobicContact CD1-CD1 3.8Å; I164-F204 HydrophobicContact CD1-CG 4.25Å; I169-F204 HydrophobicContact CD1-CD2 4.23Å; I169-F204 HydrophobicContact CD1-CE1 4.14Å; I169-F204 HydrophobicContact CD1-CE2 3.72Å; I169-F204 HydrophobicContact CD1-CZ 3.66Å; I169-F204 HydrophobicContact CG1-CE1 4.39Å; I169-F204 HydrophobicContact CG1-CE2 4.46Å; I169-F204 HydrophobicContact CG1-CZ 3.95Å; L191-F204 HydrophobicContact CD1-CD2 3.85Å; L191-F204 HydrophobicContact CD1-CE2 4.14Å; I199-F204 HydrophobicContact CD1-CD2 4.38Å; I199-F204 HydrophobicContact CG2-CB 4.07Å; E200-F204 PolarHBondContact O-N 2.85Å; F204-F209 HydrophobicContact CE2-CB 4.38Å; F204-F209 HydrophobicContact CE2-CD2 4.49Å; F204-F209 HydrophobicContact CZ-CB 4.08Å; F204-F209 AromaticContact CZ-CD2 3.78Å; F204-F209 HydrophobicContact CZ-CD2 3.78Å; F204-F209 HydrophobicContact CZ-CG 4.28Å; F204-L212 HydrophobicContact CE2-CD2 4.43Å
205	T	95.8	Very high	93.3	Very high	61 Å²	61	52 Å²	52	37%	0.374	28%	0.277	S	S	.	.			trans	-69.7	160.7	-180	71.4	0	0	0	0	113.1	D203 D207 I208 F209	D203-T205 PolarHBondContact O-N 3.35Å; T205-D207 PolarHBondContact O-N 2.85Å; T205-I208 PolarHBondContact O-N 3.45Å; T205-I208 VanDerWaalsContact O-N 3.16Å; T205-I208 WeakPolarHBondContact OG1-CD1 3.42Å; T205-I208 WeakPolarHBondContact OG1-CG1 3.48Å; T205-I208 PolarHBondContact OG1-N 3.02Å; T205-F209 PolarHBondContact O-N 3.49Å
206	F	95.2	Very high	93.5	Very high	32 Å²	32	47.6 Å²	47.6	14%	0.14	26%	0.258	C	S	.	.	H	α-helix	trans	-60.6	-39.9	179.6	178.5	-113.5	0	0	0	113.5	M144 L147 K148 W151 I208 F209 Y210	M144-F206 HydrophobicContact SD-CE1 4.38Å; M144-F206 HydrophobicContact SD-CZ 4.12Å; L147-F206 HydrophobicContact CB-CE2 4.32Å; K148-F206 VanDerWaalsContact CA-CE2 3.42Å; K148-F206 HydrophobicContact CB-CD2 4.08Å; K148-F206 HydrophobicContact CB-CE1 4.5Å; K148-F206 HydrophobicContact CB-CE2 3.74Å; K148-F206 HydrophobicContact CB-CZ 3.96Å; K148-F206 HydrophobicContact CG-CD2 4.09Å; K148-F206 HydrophobicContact CG-CE2 4.27Å; K148-F206 HydrophobicContact CG-CG 4.3Å; W151-F206 HydrophobicContact CB-CD2 3.97Å; W151-F206 HydrophobicContact CD2-CB 3.85Å; W151-F206 HydrophobicContact CD2-CD2 4.02Å; W151-F206 HydrophobicContact CD2-CG 4.41Å; W151-F206 HydrophobicContact CE3-CB 3.8Å; W151-F206 HydrophobicContact CE3-CD2 4.07Å; W151-F206 HydrophobicContact CE3-CG 4.29Å; W151-F206 HydrophobicContact CG-CB 4.49Å; W151-F206 AromaticContact CG-CD2 3.96Å; W151-F206 HydrophobicContact CG-CD2 3.96Å; W151-F206 HydrophobicContact CH2-CB 4.28Å; W151-F206 HydrophobicContact CZ2-CB 4.29Å; W151-F206 HydrophobicContact CZ3-CB 4.03Å; F206-I208 VanDerWaalsContact C-N 3.31Å; F206-I208 PolarHBondContact O-N 2.94Å; F206-F209 HydrophobicContact CD2-CD1 4.23Å; F206-F209 HydrophobicContact CE2-CD1 4.21Å; F206-F209 PolarHBondContact O-N 3.3Å; F206-Y210 WeakPolarHBondContact O-CB 3.31Å; F206-Y210 PolarHBondContact O-N 3.23Å
207	D	93.9	Very high	93.5	Very high	74 Å²	74	41 Å²	41	40%	0.396	22%	0.223	S	C	.	.	H	α-helix	trans	-68	-30.8	177.7	-76.5	-66.5	0	0	0	111.9	T205 Y210 A211 R277 R294	T205-D207 PolarHBondContact O-N 2.85Å; D207-Y210 PolarHBondContact O-N 2.73Å; D207-A211 WeakPolarHBondContact O-CB 3.46Å; D207-A211 PolarHBondContact O-N 2.78Å; D207-R277 VanDerWaalsContact CG-NH2 3.28Å; D207-R277 IonicContact OD1-CZ 2.62Å; D207-R277 IonicContact OD1-NE 2.75Å; D207-R277 IonicContact OD1-NH2 3.76Å; D207-R277 PolarHBondContact OD1-NH2 3.43Å; D207-R277 IonicContact OD2-NH2 2.69Å; D207-R277 PolarHBondContact OD2-NH2 3.22Å; D207-R294 IonicContact OD1-NH1 2.72Å
208	I	95	Very high	93.3	Very high	53 Å²	53	40.3 Å²	40.3	27%	0.272	22%	0.222	S	C	.	.	H	α-helix	trans	-69.4	-42.7	171.1	-68.8	169.6	0	0	0	110.9	L191 D203 T205 F206 Y210 A211 L212	L191-I208 HydrophobicContact CD1-CG2 3.78Å; L191-I208 HydrophobicContact CD2-CG2 4.41Å; L191-I208 HydrophobicContact CG-CG2 4.27Å; D203-I208 VanDerWaalsContact O-CD1 3.25Å; D203-I208 WeakPolarHBondContact O-CD1 3.48Å; T205-I208 PolarHBondContact O-N 3.45Å; T205-I208 VanDerWaalsContact O-N 3.16Å; T205-I208 WeakPolarHBondContact OG1-CD1 3.42Å; T205-I208 WeakPolarHBondContact OG1-CG1 3.48Å; T205-I208 PolarHBondContact OG1-N 3.02Å; F206-I208 VanDerWaalsContact C-N 3.31Å; F206-I208 PolarHBondContact O-N 2.94Å; I208-Y210 VanDerWaalsContact C-N 3.32Å; I208-Y210 PolarHBondContact O-N 3.4Å; I208-A211 PolarHBondContact O-N 2.96Å; I208-L212 WeakPolarHBondContact O-CB 3.4Å; I208-L212 PolarHBondContact O-N 3.32Å
209	F	95.5	Very high	93.1	Very high	1 Å²	1	37.7 Å²	37.7	0%	0.004	21%	0.209	C	C	.	.	H	α-helix	trans	-62.5	-38.5	172.6	172.8	-109.4	0	0	0	112.2	L147 W151 M154 F173 F204 T205 F206 L212 T213	L147-F209 HydrophobicContact CD2-CE1 4.26Å; W151-F209 HydrophobicContact CB-CD1 3.62Å; W151-F209 HydrophobicContact CB-CE1 3.97Å; W151-F209 HydrophobicContact CB-CG 4.16Å; W151-F209 AromaticContact CD1-CG 3.82Å; W151-F209 HydrophobicContact CG-CB 4.21Å; W151-F209 HydrophobicContact CG-CD1 4.11Å; W151-F209 HydrophobicContact CG-CG 4.27Å; M154-F209 HydrophobicContact CE-CD2 3.83Å; M154-F209 HydrophobicContact CE-CE2 3.45Å; M154-F209 VanDerWaalsContact CE-CE2 3.45Å; M154-F209 HydrophobicContact CE-CZ 3.91Å; F173-F209 HydrophobicContact CE2-CE2 4.38Å; F173-F209 AromaticContact CZ-CE2 3.88Å; F173-F209 HydrophobicContact CZ-CE2 3.88Å; F204-F209 HydrophobicContact CE2-CB 4.38Å; F204-F209 HydrophobicContact CE2-CD2 4.49Å; F204-F209 HydrophobicContact CZ-CB 4.08Å; F204-F209 AromaticContact CZ-CD2 3.78Å; F204-F209 HydrophobicContact CZ-CD2 3.78Å; F204-F209 HydrophobicContact CZ-CG 4.28Å; T205-F209 PolarHBondContact O-N 3.49Å; F206-F209 HydrophobicContact CD2-CD1 4.23Å; F206-F209 HydrophobicContact CE2-CD1 4.21Å; F206-F209 PolarHBondContact O-N 3.3Å; F209-L212 HydrophobicContact CD2-CD2 4.46Å; F209-L212 CarbonylContact O-C 3.53Å; F209-L212 WeakPolarHBondContact O-CB 3.35Å; F209-L212 PolarHBondContact O-N 3.03Å; F209-T213 HydrophobicContact CD1-CG2 4.33Å; F209-T213 HydrophobicContact CD2-CG2 4.33Å; F209-T213 HydrophobicContact CE1-CG2 3.8Å; F209-T213 HydrophobicContact CE2-CG2 3.77Å; F209-T213 HydrophobicContact CZ-CG2 3.49Å; F209-T213 VanDerWaalsContact CZ-CG2 3.49Å; F209-T213 WeakPolarHBondContact O-CG2 3.41Å; F209-T213 PolarHBondContact O-N 3.33Å
210	Y	94.6	Very high	93	Very high	5 Å²	5	41.1 Å²	41.1	2%	0.02	23%	0.23	C	C	.	.	H	α-helix	trans	-66.3	-39.8	175.8	-172.2	-95.3	0	0	0	112.1	M144 L147 F206 D207 I208 L212 T213 Q214 D290 R294	M144-Y210 HydrophobicContact CE-CD2 4.48Å; M144-Y210 HydrophobicContact CE-CE2 3.59Å; M144-Y210 HydrophobicContact SD-CD2 4.04Å; M144-Y210 HydrophobicContact SD-CE2 3.73Å; L147-Y210 HydrophobicContact CD1-CD2 4.48Å; L147-Y210 HydrophobicContact CD1-CE2 4.42Å; F206-Y210 WeakPolarHBondContact O-CB 3.31Å; F206-Y210 PolarHBondContact O-N 3.23Å; D207-Y210 PolarHBondContact O-N 2.73Å; I208-Y210 VanDerWaalsContact C-N 3.32Å; I208-Y210 PolarHBondContact O-N 3.4Å; Y210-L212 VanDerWaalsContact C-N 3.29Å; Y210-L212 PolarHBondContact O-N 2.81Å; Y210-T213 PolarHBondContact O-N 2.96Å; Y210-T213 PolarHBondContact O-OG1 3Å; Y210-Q214 HydrophobicContact CD1-CG 4.28Å; Y210-Q214 HydrophobicContact CE1-CG 3.87Å; Y210-Q214 WeakPolarHBondContact O-CG 3.35Å; Y210-Q214 PolarHBondContact O-N 3.18Å; Y210-Q214 PolarHBondContact OH-NE2 2.86Å; Y210-D290 WeakPolarHBondContact CE1-OD1 3.29Å; Y210-R294 VanDerWaalsContact CE1-NH2 3.34Å
211	A	93.9	Very high	92.9	Very high	39 Å²	39	38.5 Å²	38.5	32%	0.322	22%	0.219	S	C	.	.	H	α-helix	trans	-62	-37.8	170.6	0	0	0	0	0	111.9	L189 D207 I208 K215	L189-A211 HydrophobicContact CD1-CB 4.3Å; L189-A211 HydrophobicContact CD2-CB 4.01Å; D207-A211 WeakPolarHBondContact O-CB 3.46Å; D207-A211 PolarHBondContact O-N 2.78Å; I208-A211 PolarHBondContact O-N 2.96Å; A211-K215 VanDerWaalsContact O-CB 3.26Å; A211-K215 WeakPolarHBondContact O-CB 3.49Å; A211-K215 PolarHBondContact O-N 2.92Å
212	L	94.5	Very high	93	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.1	-42.9	174.8	-174.6	70.1	0	0	0	111.9	I169 F173 A185 L186 L189 F204 I208 F209 Y210 K215 I216	I169-L212 HydrophobicContact CG2-CD2 3.78Å; F173-L212 HydrophobicContact CE2-CD2 3.88Å; F173-L212 HydrophobicContact CE2-CG 4.24Å; F173-L212 HydrophobicContact CZ-CD2 4.3Å; F173-L212 HydrophobicContact CZ-CG 4.33Å; A185-L212 HydrophobicContact CB-CD1 3.9Å; L186-L212 HydrophobicContact CD2-CD1 3.93Å; L186-L212 HydrophobicContact CD2-CD2 3.7Å; L186-L212 HydrophobicContact CD2-CG 4.49Å; L186-L212 HydrophobicContact CG-CD1 4.2Å; L189-L212 HydrophobicContact CD1-CB 3.72Å; L189-L212 HydrophobicContact CD1-CD1 3.91Å; L189-L212 HydrophobicContact CD1-CG 4.44Å; F204-L212 HydrophobicContact CE2-CD2 4.43Å; I208-L212 WeakPolarHBondContact O-CB 3.4Å; I208-L212 PolarHBondContact O-N 3.32Å; F209-L212 HydrophobicContact CD2-CD2 4.46Å; F209-L212 CarbonylContact O-C 3.53Å; F209-L212 WeakPolarHBondContact O-CB 3.35Å; F209-L212 PolarHBondContact O-N 3.03Å; Y210-L212 VanDerWaalsContact C-N 3.29Å; Y210-L212 PolarHBondContact O-N 2.81Å; L212-K215 PolarHBondContact O-N 3.26Å; L212-I216 HydrophobicContact CD1-CD1 3.63Å; L212-I216 HydrophobicContact CD1-CG1 4.25Å; L212-I216 HydrophobicContact CG-CD1 3.83Å; L212-I216 WeakPolarHBondContact O-CB 3.31Å; L212-I216 WeakPolarHBondContact O-CG1 3.43Å; L212-I216 PolarHBondContact O-N 3.45Å
213	T	92.9	Very high	93	Very high	7 Å²	7	35.6 Å²	35.6	4%	0.043	19%	0.191	C	C	.	.	H	α-helix	trans	-64.2	-46.8	176.4	61.7	0	0	0	0	111.1	L147 F173 F209 Y210 K215 I216 C217 F758	L147-T213 HydrophobicContact CD2-CG2 4.32Å; F173-T213 HydrophobicContact CE1-CG2 4.05Å; F173-T213 HydrophobicContact CZ-CG2 3.95Å; F209-T213 HydrophobicContact CD1-CG2 4.33Å; F209-T213 HydrophobicContact CD2-CG2 4.33Å; F209-T213 HydrophobicContact CE1-CG2 3.8Å; F209-T213 HydrophobicContact CE2-CG2 3.77Å; F209-T213 HydrophobicContact CZ-CG2 3.49Å; F209-T213 VanDerWaalsContact CZ-CG2 3.49Å; F209-T213 WeakPolarHBondContact O-CG2 3.41Å; F209-T213 PolarHBondContact O-N 3.33Å; Y210-T213 PolarHBondContact O-N 2.96Å; Y210-T213 PolarHBondContact O-OG1 3Å; T213-K215 VanDerWaalsContact C-N 3.32Å; T213-K215 PolarHBondContact O-N 2.94Å; T213-I216 PolarHBondContact O-N 3.16Å; T213-C217 CarbonylContact O-C 3.47Å; T213-C217 VanDerWaalsContact O-CA 3.3Å; T213-C217 WeakPolarHBondContact O-CA 3.34Å; T213-C217 WeakPolarHBondContact O-CB 3.24Å; T213-C217 PolarHBondContact O-N 2.75Å; T213-F758 HydrophobicContact CG2-CZ 4.13Å
214	Q	91.1	Very high	92.9	Very high	48 Å²	48	36.9 Å²	36.9	22%	0.224	19%	0.194	C	C	.	.	H	α-helix	trans	-61.2	-39.2	177.1	-68.6	-67.9	3.2	0	0	112.5	Y210 C217 P218	Y210-Q214 HydrophobicContact CD1-CG 4.28Å; Y210-Q214 HydrophobicContact CE1-CG 3.87Å; Y210-Q214 WeakPolarHBondContact O-CG 3.35Å; Y210-Q214 PolarHBondContact O-N 3.18Å; Y210-Q214 PolarHBondContact OH-NE2 2.86Å; Q214-C217 CarbonylContact O-C 3.53Å; Q214-P218 VanDerWaalsContact O-CA 3.32Å; Q214-P218 WeakPolarHBondContact O-CA 3.4Å
215	K	91.4	Very high	92.8	Very high	102 Å²	102	37.2 Å²	37.2	44%	0.443	20%	0.196	S	C	.	.	H	α-helix	trans	-70.8	-33.8	179.8	-174.5	160.7	-176.5	159.8	0	113.7	A185 D188 A211 L212 T213	A185-K215 HydrophobicContact CB-CD 4.32Å; A185-K215 HydrophobicContact CB-CG 4.25Å; D188-K215 VanDerWaalsContact CG-NZ 3.32Å; D188-K215 VanDerWaalsContact OD2-CE 3.31Å; D188-K215 WeakPolarHBondContact OD2-CE 3.42Å; D188-K215 IonicContact OD2-NZ 3.18Å; D188-K215 PolarHBondContact OD2-NZ 3.22Å; A211-K215 VanDerWaalsContact O-CB 3.26Å; A211-K215 WeakPolarHBondContact O-CB 3.49Å; A211-K215 PolarHBondContact O-N 2.92Å; L212-K215 PolarHBondContact O-N 3.26Å; T213-K215 VanDerWaalsContact C-N 3.32Å; T213-K215 PolarHBondContact O-N 2.94Å
216	I	91.4	Very high	92.8	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.021	18%	0.181	C	C	.	.	H	α-helix	trans	-87.4	-36.3	179.2	-69.3	179.4	0	0	0	111.5	F173 K177 I182 A185 L212 T213 P218 L794	F173-I216 HydrophobicContact CB-CD1 4.39Å; F173-I216 HydrophobicContact CB-CG2 3.84Å; F173-I216 HydrophobicContact CD1-CB 4.14Å; F173-I216 HydrophobicContact CD1-CD1 4.19Å; F173-I216 HydrophobicContact CD1-CG2 3.47Å; F173-I216 VanDerWaalsContact CD1-CG2 3.47Å; F173-I216 HydrophobicContact CD2-CD1 3.76Å; F173-I216 HydrophobicContact CE1-CB 4.34Å; F173-I216 HydrophobicContact CE1-CD1 4.38Å; F173-I216 HydrophobicContact CE1-CG2 4.15Å; F173-I216 HydrophobicContact CE2-CD1 3.98Å; F173-I216 HydrophobicContact CG-CD1 3.86Å; F173-I216 HydrophobicContact CG-CG2 3.76Å; F173-I216 HydrophobicContact CZ-CD1 4.27Å; K177-I216 WeakPolarHBondContact CE-O 3.41Å; K177-I216 HydrophobicContact CG-CG2 3.82Å; I182-I216 HydrophobicContact CB-CD1 4.4Å; I182-I216 HydrophobicContact CG1-CD1 4.27Å; I182-I216 HydrophobicContact CG2-CD1 4Å; A185-I216 HydrophobicContact CB-CD1 4.05Å; A185-I216 HydrophobicContact CB-CG1 3.74Å; L212-I216 HydrophobicContact CD1-CD1 3.63Å; L212-I216 HydrophobicContact CD1-CG1 4.25Å; L212-I216 HydrophobicContact CG-CD1 3.83Å; L212-I216 WeakPolarHBondContact O-CB 3.31Å; L212-I216 WeakPolarHBondContact O-CG1 3.43Å; L212-I216 PolarHBondContact O-N 3.45Å; T213-I216 PolarHBondContact O-N 3.16Å; I216-P218 VanDerWaalsContact C-CD 3.48Å; I216-P218 WeakPolarHBondContact O-CD 3.42Å; I216-L794 HydrophobicContact CG2-CD2 4.03Å
217	C	90.2	Very high	92.6	Very high	5 Å²	5	37 Å²	37	3%	0.034	19%	0.19	C	C	.	.	S	Bend	trans	-128.5	65.1	-170.3	-171.2	0	0	0	0	110	T213 Q214 N795	T213-C217 CarbonylContact O-C 3.47Å; T213-C217 VanDerWaalsContact O-CA 3.3Å; T213-C217 WeakPolarHBondContact O-CA 3.34Å; T213-C217 WeakPolarHBondContact O-CB 3.24Å; T213-C217 PolarHBondContact O-N 2.75Å; Q214-C217 CarbonylContact O-C 3.53Å; C217-N795 VanDerWaalsContact SG-CB 3.6Å
218	P	87.7	Confident	92.5	Very high	48 Å²	48	40.4 Å²	40.4	31%	0.312	20%	0.202	S	C	.	.			trans	-65.3	136.9	-176.4	26.9	-35.3	0	0	0	111.5	Q214 I216 T220	Q214-P218 VanDerWaalsContact O-CA 3.32Å; Q214-P218 WeakPolarHBondContact O-CA 3.4Å; I216-P218 VanDerWaalsContact C-CD 3.48Å; I216-P218 WeakPolarHBondContact O-CD 3.42Å; P218-T220 VanDerWaalsContact C-N 3.32Å; P218-T220 PolarHBondContact O-N 2.98Å; P218-T220 VanDerWaalsContact O-N 3.13Å
219	R	91.3	Very high	92.3	Very high	19 Å²	19	39.5 Å²	39.5	7%	0.072	20%	0.197	C	C	.	.			trans	-87.4	64	-178.7	-65.5	-57.7	-55.3	-89.7	5	112.4	D221 I222 E223 H844	R219-D221 VanDerWaalsContact CA-OD1 3.31Å; R219-D221 WeakPolarHBondContact CA-OD1 3.48Å; R219-D221 IonicContact CZ-OD1 2.73Å; R219-D221 IonicContact CZ-OD2 2.86Å; R219-D221 IonicContact NE-OD1 2.8Å; R219-D221 PolarHBondContact NE-OD1 2.58Å; R219-D221 IonicContact NE-OD2 2.7Å; R219-D221 PolarHBondContact NE-OD2 2.74Å; R219-D221 IonicContact NH2-OD1 3.31Å; R219-D221 IonicContact NH2-OD2 3.18Å; R219-D221 PolarHBondContact NH2-OD2 3.38Å; R219-D221 PolarHBondContact O-N 3.49Å; R219-I222 HydrophobicContact CB-CB 4.09Å; R219-I222 HydrophobicContact CB-CD1 4.23Å; R219-I222 HydrophobicContact CB-CG1 4.3Å; R219-I222 HydrophobicContact CG-CD1 4.39Å; R219-I222 PolarHBondContact O-N 2.91Å; R219-E223 PolarHBondContact O-N 3.23Å; R219-H844 PolarHBondContact NH1-NE2 2.87Å; R219-H844 PolarHBondContact NH2-NE2 2.82Å
220	T	91	Very high	92	Very high	71 Å²	71	39.9 Å²	39.9	44%	0.436	20%	0.199	S	C	.	.	H	α-helix	trans	-58.1	-29.2	178.4	57.8	0	0	0	0	112.7	P218 E223 E224	P218-T220 VanDerWaalsContact C-N 3.32Å; P218-T220 PolarHBondContact O-N 2.98Å; P218-T220 VanDerWaalsContact O-N 3.13Å; T220-E223 PolarHBondContact O-N 3.12Å; T220-E224 WeakPolarHBondContact O-CB 3.4Å; T220-E224 VanDerWaalsContact O-CG 3.32Å; T220-E224 WeakPolarHBondContact O-CG 3.43Å; T220-E224 PolarHBondContact O-N 3.07Å
221	D	92.3	Very high	91.5	Very high	20 Å²	20	41.7 Å²	41.7	11%	0.107	22%	0.219	C	C	.	.	H	α-helix	trans	-64.4	-39.7	173.1	57.7	-23.9	0	0	0	113.3	R219 L225 S755 F861	R219-D221 VanDerWaalsContact CA-OD1 3.31Å; R219-D221 WeakPolarHBondContact CA-OD1 3.48Å; R219-D221 IonicContact CZ-OD1 2.73Å; R219-D221 IonicContact CZ-OD2 2.86Å; R219-D221 IonicContact NE-OD1 2.8Å; R219-D221 PolarHBondContact NE-OD1 2.58Å; R219-D221 IonicContact NE-OD2 2.7Å; R219-D221 PolarHBondContact NE-OD2 2.74Å; R219-D221 IonicContact NH2-OD1 3.31Å; R219-D221 IonicContact NH2-OD2 3.18Å; R219-D221 PolarHBondContact NH2-OD2 3.38Å; R219-D221 PolarHBondContact O-N 3.49Å; D221-L225 PolarHBondContact O-N 3.16Å; D221-S755 WeakPolarHBondContact OD2-CB 3.29Å; D221-S755 PolarHBondContact OD2-OG 2.85Å; D221-F861 HydrophobicContact CB-CD1 4.42Å; D221-F861 VanDerWaalsContact OD2-CD1 3.31Å; D221-F861 WeakPolarHBondContact OD2-CD1 3.37Å
222	I	93.9	Very high	90.8	Very high	1 Å²	1	46 Å²	46	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-76	-36.8	173.6	-65.2	178.5	0	0	0	110.6	R219 E224 L225 F226 F292 C293 L296 F861	R219-I222 HydrophobicContact CB-CB 4.09Å; R219-I222 HydrophobicContact CB-CD1 4.23Å; R219-I222 HydrophobicContact CB-CG1 4.3Å; R219-I222 HydrophobicContact CG-CD1 4.39Å; R219-I222 PolarHBondContact O-N 2.91Å; I222-E224 PolarHBondContact O-N 3.48Å; I222-L225 PolarHBondContact O-N 2.76Å; I222-F226 VanDerWaalsContact O-CB 3.32Å; I222-F226 WeakPolarHBondContact O-CB 3.48Å; I222-F226 PolarHBondContact O-N 3.37Å; I222-F292 HydrophobicContact CG2-CD1 3.88Å; I222-F292 HydrophobicContact CG2-CE1 4.26Å; I222-C293 HydrophobicContact CD1-CB 4.36Å; I222-C293 VanDerWaalsContact CD1-SG 3.59Å; I222-C293 HydrophobicContact CG2-CB 4.2Å; I222-L296 HydrophobicContact CD1-CD1 4.29Å; I222-L296 HydrophobicContact CG1-CD1 4.27Å; I222-L296 HydrophobicContact CG2-CD1 4.15Å; I222-F861 HydrophobicContact CG1-CE1 4.28Å; I222-F861 HydrophobicContact CG1-CZ 4.26Å
223	E	92.1	Very high	90	Very high	71 Å²	71	54.3 Å²	54.3	33%	0.332	27%	0.273	S	S	.	.	H	α-helix	trans	-60.6	-43.3	173.3	-71.4	-176.4	-135.1	0	0	112.4	R219 T220 F226 K227	R219-E223 PolarHBondContact O-N 3.23Å; T220-E223 PolarHBondContact O-N 3.12Å; E223-F226 PolarHBondContact O-N 2.87Å; E223-K227 VanDerWaalsContact O-CB 3.3Å; E223-K227 WeakPolarHBondContact O-CB 3.46Å; E223-K227 VanDerWaalsContact O-CD 3.31Å; E223-K227 WeakPolarHBondContact O-CD 3.08Å; E223-K227 WeakPolarHBondContact O-CG 3.04Å; E223-K227 PolarHBondContact O-N 2.97Å; E223-K227 IonicContact OE2-NZ 2.61Å; E223-K227 PolarHBondContact OE2-NZ 3.3Å
224	E	92.3	Very high	89.7	Confident	113 Å²	113	55.8 Å²	55.8	53%	0.528	28%	0.282	S	S	.	.	H	α-helix	trans	-63.4	-41.2	176.6	-78.9	173.4	-156.9	0	0	111.5	T220 I222 K228	T220-E224 WeakPolarHBondContact O-CB 3.4Å; T220-E224 VanDerWaalsContact O-CG 3.32Å; T220-E224 WeakPolarHBondContact O-CG 3.43Å; T220-E224 PolarHBondContact O-N 3.07Å; I222-E224 PolarHBondContact O-N 3.48Å; E224-K228 VanDerWaalsContact O-CB 3.29Å; E224-K228 WeakPolarHBondContact O-CB 3.44Å; E224-K228 PolarHBondContact O-N 3.2Å
225	L	93.6	Very high	89.6	Confident	8 Å²	8	60.6 Å²	60.6	4%	0.042	31%	0.309	C	S	.	.	H	α-helix	trans	-62.8	-45.7	172.7	177.1	57.7	0	0	0	112	D221 I222 K227 K228 I229 F245 F292 L296 Y842 F861	D221-L225 PolarHBondContact O-N 3.16Å; I222-L225 PolarHBondContact O-N 2.76Å; L225-K227 PolarHBondContact O-N 2.8Å; L225-K228 WeakPolarHBondContact O-CB 3.45Å; L225-K228 PolarHBondContact O-N 3.28Å; L225-I229 HydrophobicContact CD1-CD1 3.97Å; L225-I229 HydrophobicContact CD1-CG1 4.26Å; L225-I229 HydrophobicContact CG-CD1 3.98Å; L225-I229 WeakPolarHBondContact O-CD1 3.47Å; L225-I229 VanDerWaalsContact O-CG1 3.3Å; L225-I229 WeakPolarHBondContact O-CG1 3.28Å; L225-I229 PolarHBondContact O-N 2.93Å; L225-F245 HydrophobicContact CD1-CE2 4.38Å; L225-F245 HydrophobicContact CD2-CE2 4.41Å; L225-F292 HydrophobicContact CD2-CE1 4.02Å; L225-F292 HydrophobicContact CD2-CZ 4.13Å; L225-F292 HydrophobicContact CG-CE1 4.06Å; L225-F292 HydrophobicContact CG-CZ 4.27Å; L225-L296 HydrophobicContact CD2-CD1 4.17Å; L225-Y842 HydrophobicContact CD1-CD2 4.06Å; L225-Y842 HydrophobicContact CD1-CE1 4.07Å; L225-Y842 HydrophobicContact CD1-CE2 3.52Å; L225-Y842 HydrophobicContact CD2-CD1 3.78Å; L225-Y842 HydrophobicContact CD2-CD2 3.77Å; L225-Y842 HydrophobicContact CD2-CE1 4.12Å; L225-Y842 HydrophobicContact CD2-CE2 4.09Å; L225-Y842 HydrophobicContact CD2-CG 3.61Å; L225-Y842 HydrophobicContact CG-CE2 4.47Å; L225-F861 HydrophobicContact CD2-CZ 4.22Å
226	F	94.4	Very high	89.7	Confident	9 Å²	9	58.6 Å²	58.6	4%	0.039	30%	0.299	C	S	.	.	H	α-helix	trans	-60.2	-46.2	177.6	-177.3	-92.9	0	0	0	111.6	I222 E223 K228 I229 N230 D235 L237 S288 F292	I222-F226 VanDerWaalsContact O-CB 3.32Å; I222-F226 WeakPolarHBondContact O-CB 3.48Å; I222-F226 PolarHBondContact O-N 3.37Å; E223-F226 PolarHBondContact O-N 2.87Å; F226-K228 VanDerWaalsContact C-N 3.34Å; F226-K228 PolarHBondContact O-N 2.87Å; F226-I229 PolarHBondContact O-N 3.1Å; F226-N230 VanDerWaalsContact CD1-ND2 3.32Å; F226-N230 WeakPolarHBondContact CD1-ND2 3.29Å; F226-N230 WeakPolarHBondContact CE1-ND2 3.32Å; F226-N230 PolarHBondContact O-N 3.2Å; F226-N230 PolarHBondContact O-ND2 2.84Å; F226-D235 WeakPolarHBondContact CZ-O 3.46Å; F226-L237 HydrophobicContact CD2-CD1 3.72Å; F226-L237 HydrophobicContact CD2-CG 3.96Å; F226-L237 HydrophobicContact CE2-CB 4.49Å; F226-L237 HydrophobicContact CE2-CD1 3.72Å; F226-L237 HydrophobicContact CE2-CG 3.61Å; F226-L237 HydrophobicContact CZ-CG 4.2Å; F226-S288 VanDerWaalsContact CE2-C 3.5Å; F226-F292 HydrophobicContact CB-CD1 4.23Å; F226-F292 HydrophobicContact CB-CE1 4.47Å; F226-F292 HydrophobicContact CD2-CB 3.97Å; F226-F292 AromaticContact CD2-CD1 3.91Å; F226-F292 HydrophobicContact CD2-CD1 3.91Å; F226-F292 HydrophobicContact CD2-CG 4.05Å; F226-F292 HydrophobicContact CE2-CB 4.24Å
227	K	92.6	Very high	89.8	Confident	79 Å²	79	58.5 Å²	58.5	34%	0.343	30%	0.299	S	S	.	.	H	α-helix	trans	-61.7	-37.1	174.5	-74.3	161.5	-170	158.9	0	112.5	E223 L225 N230 G231 N232	E223-K227 VanDerWaalsContact O-CB 3.3Å; E223-K227 WeakPolarHBondContact O-CB 3.46Å; E223-K227 VanDerWaalsContact O-CD 3.31Å; E223-K227 WeakPolarHBondContact O-CD 3.08Å; E223-K227 WeakPolarHBondContact O-CG 3.04Å; E223-K227 PolarHBondContact O-N 2.97Å; E223-K227 IonicContact OE2-NZ 2.61Å; E223-K227 PolarHBondContact OE2-NZ 3.3Å; L225-K227 PolarHBondContact O-N 2.8Å; K227-N230 PolarHBondContact O-OD1 2.98Å; K227-G231 WeakPolarHBondContact O-CA 3.39Å; K227-G231 PolarHBondContact O-N 2.97Å; K227-N232 WeakPolarHBondContact CB-OD1 3.48Å; K227-N232 PolarHBondContact O-N 3.22Å
228	K	91.5	Very high	90.1	Very high	146 Å²	146	60.4 Å²	60.4	64%	0.635	31%	0.311	S	S	*	.	H	α-helix	trans	-65.4	-39.8	174.2	-179.6	-174.3	175.4	-171.2	0	112.4	E224 L225 F226 Y842	E224-K228 VanDerWaalsContact O-CB 3.29Å; E224-K228 WeakPolarHBondContact O-CB 3.44Å; E224-K228 PolarHBondContact O-N 3.2Å; L225-K228 WeakPolarHBondContact O-CB 3.45Å; L225-K228 PolarHBondContact O-N 3.28Å; F226-K228 VanDerWaalsContact C-N 3.34Å; F226-K228 PolarHBondContact O-N 2.87Å; K228-Y842 PolarHBondContact NZ-OH 3.06Å
229	I	91.3	Very high	90.4	Very high	34 Å²	34	59.3 Å²	59.3	17%	0.174	30%	0.303	C	S	.	.	H	α-helix	trans	-74.3	-41.9	178.3	-58.6	156.8	0	0	0	111.1	L225 F226 G231 L237 Q241 F245 F292	L225-I229 HydrophobicContact CD1-CD1 3.97Å; L225-I229 HydrophobicContact CD1-CG1 4.26Å; L225-I229 HydrophobicContact CG-CD1 3.98Å; L225-I229 WeakPolarHBondContact O-CD1 3.47Å; L225-I229 VanDerWaalsContact O-CG1 3.3Å; L225-I229 WeakPolarHBondContact O-CG1 3.28Å; L225-I229 PolarHBondContact O-N 2.93Å; F226-I229 PolarHBondContact O-N 3.1Å; I229-G231 VanDerWaalsContact C-N 3.35Å; I229-L237 HydrophobicContact CB-CD2 3.97Å; I229-L237 HydrophobicContact CG2-CD2 3.54Å; I229-Q241 HydrophobicContact CG2-CB 4.46Å; I229-F245 HydrophobicContact CD1-CB 4.41Å; I229-F245 HydrophobicContact CD1-CD2 3.37Å; I229-F245 HydrophobicContact CD1-CE2 3.71Å; I229-F245 HydrophobicContact CD1-CG 3.91Å; I229-F245 HydrophobicContact CD1-CZ 4.5Å; I229-F245 HydrophobicContact CG1-CD2 3.96Å; I229-F245 HydrophobicContact CG2-CB 4.33Å; I229-F292 HydrophobicContact CD1-CE1 4.16Å; I229-F292 HydrophobicContact CD1-CE2 4.21Å; I229-F292 HydrophobicContact CD1-CZ 3.56Å
230	N	88.4	Confident	90.6	Very high	8 Å²	8	63.9 Å²	63.9	4%	0.043	33%	0.328	C	S	.	.	H	α-helix	trans	-79.4	-15.5	-179.2	77.8	35.1	0	0	0	113.9	F226 K227 N232 K233 T234 L237	F226-N230 VanDerWaalsContact CD1-ND2 3.32Å; F226-N230 WeakPolarHBondContact CD1-ND2 3.29Å; F226-N230 WeakPolarHBondContact CE1-ND2 3.32Å; F226-N230 PolarHBondContact O-N 3.2Å; F226-N230 PolarHBondContact O-ND2 2.84Å; K227-N230 PolarHBondContact O-OD1 2.98Å; N230-N232 VanDerWaalsContact OD1-CA 3.24Å; N230-N232 WeakPolarHBondContact OD1-CA 3.48Å; N230-N232 PolarHBondContact OD1-N 3.05Å; N230-K233 PolarHBondContact OD1-N 2.88Å; N230-T234 PolarHBondContact ND2-O 3.24Å; N230-L237 HydrophobicContact CB-CD2 3.88Å
231	G	83.4	Confident	90.8	Very high	43 Å²	43	62.8 Å²	62.8	44%	0.443	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.9	25.2	179.2	0	0	0	0	0	114.7	K227 I229 K233	K227-G231 WeakPolarHBondContact O-CA 3.39Å; K227-G231 PolarHBondContact O-N 2.97Å; I229-G231 VanDerWaalsContact C-N 3.35Å; G231-K233 VanDerWaalsContact C-N 3.34Å; G231-K233 PolarHBondContact O-N 3.26Å
232	N	78.6	Confident	90.9	Very high	130 Å²	130	61.9 Å²	61.9	70%	0.695	31%	0.314	S	S	*	.	S	Bend	trans	56.6	35.8	-170.7	-66	-60.5	0	0	0	114.6	K227 N230	K227-N232 WeakPolarHBondContact CB-OD1 3.48Å; K227-N232 PolarHBondContact O-N 3.22Å; N230-N232 VanDerWaalsContact OD1-CA 3.24Å; N230-N232 WeakPolarHBondContact OD1-CA 3.48Å; N230-N232 PolarHBondContact OD1-N 3.05Å
233	K	77.9	Confident	91	Very high	174 Å²	174	63 Å²	63	76%	0.757	32%	0.32	S	S	*	.	S	Bend	trans	-105.9	-27.8	-175.1	-62.5	179.7	-174.3	173	0	115.3	N230 G231	N230-K233 PolarHBondContact OD1-N 2.88Å; G231-K233 VanDerWaalsContact C-N 3.34Å; G231-K233 PolarHBondContact O-N 3.26Å
234	T	86.9	Confident	91.2	Very high	38 Å²	38	62 Å²	62	23%	0.233	32%	0.322	C	S	.	.			trans	-152.3	147.7	-168.8	45.2	0	0	0	0	111.3	N230 Y236	N230-T234 PolarHBondContact ND2-O 3.24Å; T234-Y236 WeakPolarHBondContact CB-O 3.39Å; T234-Y236 HydrophobicContact CG2-CE1 3.96Å; T234-Y236 HydrophobicContact CG2-CE2 4.05Å; T234-Y236 PolarHBondContact O-N 2.79Å; T234-Y236 PolarHBondContact OG1-O 3.39Å
235	D	89.3	Confident	91.3	Very high	150 Å²	150	56.8 Å²	56.8	80%	0.802	30%	0.297	S	S	*	.	S	Bend	trans	-77.9	7.9	174.8	-51.7	-53.3	0	0	0	113.4	F226	F226-D235 WeakPolarHBondContact CZ-O 3.46Å
236	Y	93.2	Very high	91.4	Very high	60 Å²	60	56.4 Å²	56.4	24%	0.235	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	153.5	179.4	59.6	-94.7	0	0	0	111.1	T234 T238 R286 M287	T234-Y236 WeakPolarHBondContact CB-O 3.39Å; T234-Y236 HydrophobicContact CG2-CE1 3.96Å; T234-Y236 HydrophobicContact CG2-CE2 4.05Å; T234-Y236 PolarHBondContact O-N 2.79Å; T234-Y236 PolarHBondContact OG1-O 3.39Å; Y236-T238 HydrophobicContact CE2-CG2 4.31Å; Y236-R286 HydrophobicContact CD2-CB 4.18Å; Y236-R286 HydrophobicContact CD2-CG 3.69Å; Y236-R286 VanDerWaalsContact CE1-NH1 3.28Å; Y236-R286 HydrophobicContact CE2-CG 4.14Å; Y236-R286 HydrophobicContact CG-CB 4.31Å; Y236-R286 HydrophobicContact CG-CG 4.19Å; Y236-R286 PolarHBondContact OH-NH1 2.87Å; Y236-M287 CarbonylContact C-O 3.59Å; Y236-M287 VanDerWaalsContact CA-O 3.26Å; Y236-M287 WeakPolarHBondContact CA-O 3.43Å
237	L	94.6	Very high	91.4	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.005	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	146.4	164.1	-67.1	169.1	0	0	0	110.5	F226 I229 N230 Q241 R286 M287 F292	F226-L237 HydrophobicContact CD2-CD1 3.72Å; F226-L237 HydrophobicContact CD2-CG 3.96Å; F226-L237 HydrophobicContact CE2-CB 4.49Å; F226-L237 HydrophobicContact CE2-CD1 3.72Å; F226-L237 HydrophobicContact CE2-CG 3.61Å; F226-L237 HydrophobicContact CZ-CG 4.2Å; I229-L237 HydrophobicContact CB-CD2 3.97Å; I229-L237 HydrophobicContact CG2-CD2 3.54Å; N230-L237 HydrophobicContact CB-CD2 3.88Å; L237-Q241 HydrophobicContact CD2-CB 4.09Å; L237-R286 WeakPolarHBondContact O-CA 3.46Å; L237-M287 HydrophobicContact CB-CB 4.45Å; L237-M287 PolarHBondContact N-O 2.75Å; L237-M287 PolarHBondContact O-N 2.97Å; L237-F292 HydrophobicContact CD1-CD2 3.97Å; L237-F292 HydrophobicContact CD1-CE2 4.29Å; L237-F292 HydrophobicContact CD1-CG 4.29Å
238	T	94.9	Very high	91.4	Very high	46 Å²	46	60.5 Å²	60.5	28%	0.282	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	165.2	167.7	69.1	0	0	0	0	111.8	Y236 D240 Q241 L242	Y236-T238 HydrophobicContact CE2-CG2 4.31Å; T238-D240 VanDerWaalsContact C-N 3.28Å; T238-D240 PolarHBondContact O-N 2.65Å; T238-Q241 PolarHBondContact O-N 3.39Å; T238-Q241 WeakPolarHBondContact OG1-CG 3.1Å; T238-Q241 PolarHBondContact OG1-N 3.16Å; T238-Q241 PolarHBondContact OG1-OE1 3.44Å; T238-L242 PolarHBondContact O-N 3.46Å
239	V	95.5	Very high	91.5	Very high	24 Å²	24	56.1 Å²	56.1	15%	0.145	30%	0.3	C	S	.	.	H	α-helix	trans	-50.2	-48.1	171.2	-168.6	0	0	0	0	111.5	Q241 L242 V243 P265 A268 M269 I272 G285	V239-Q241 PolarHBondContact O-N 3.32Å; V239-L242 PolarHBondContact O-N 3.09Å; V239-V243 HydrophobicContact CG1-CG2 4.47Å; V239-V243 WeakPolarHBondContact O-CG2 3.42Å; V239-V243 PolarHBondContact O-N 3.05Å; V239-P265 HydrophobicContact CG1-CB 3.83Å; V239-P265 WeakPolarHBondContact CG1-O 3.4Å; V239-A268 HydrophobicContact CG1-CB 3.76Å; V239-M269 HydrophobicContact CG1-CG 4.25Å; V239-M269 HydrophobicContact CG2-CG 4.17Å; V239-M269 HydrophobicContact CG2-SD 3.57Å; V239-M269 VanDerWaalsContact CG2-SD 3.57Å; V239-I272 HydrophobicContact CG2-CD1 4.08Å; V239-G285 VanDerWaalsContact CG2-O 3.31Å; V239-G285 WeakPolarHBondContact CG2-O 3.47Å; V239-G285 PolarHBondContact N-O 3.09Å
240	D	94.6	Very high	91.6	Very high	115 Å²	115	54.6 Å²	54.6	62%	0.615	29%	0.292	S	S	*	.	H	α-helix	trans	-65.8	-39.1	-177.6	-49.8	-57.7	0	0	0	112.5	T238 L242 V243 S244	T238-D240 VanDerWaalsContact C-N 3.28Å; T238-D240 PolarHBondContact O-N 2.65Å; D240-L242 VanDerWaalsContact C-N 3.34Å; D240-V243 PolarHBondContact O-N 2.86Å; D240-S244 PolarHBondContact O-N 3.14Å
241	Q	95.2	Very high	91.7	Very high	49 Å²	49	55.4 Å²	55.4	23%	0.229	30%	0.295	C	S	.	.	H	α-helix	trans	-64.6	-39.3	174.9	-71.7	173.1	-46.6	0	0	111.6	I229 L237 T238 V239 S244 F245	I229-Q241 HydrophobicContact CG2-CB 4.46Å; L237-Q241 HydrophobicContact CD2-CB 4.09Å; T238-Q241 PolarHBondContact O-N 3.39Å; T238-Q241 WeakPolarHBondContact OG1-CG 3.1Å; T238-Q241 PolarHBondContact OG1-N 3.16Å; T238-Q241 PolarHBondContact OG1-OE1 3.44Å; V239-Q241 PolarHBondContact O-N 3.32Å; Q241-S244 PolarHBondContact O-N 2.98Å; Q241-F245 WeakPolarHBondContact O-CB 3.34Å; Q241-F245 PolarHBondContact O-N 3.05Å
242	L	95	Very high	91.9	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-67.9	-40.8	175.3	-177.2	58.6	0	0	0	111.4	T238 V239 D240 F245 L246 A268 I271 I272 M287	T238-L242 PolarHBondContact O-N 3.46Å; V239-L242 PolarHBondContact O-N 3.09Å; D240-L242 VanDerWaalsContact C-N 3.34Å; L242-F245 HydrophobicContact CD1-CD1 4.34Å; L242-F245 PolarHBondContact O-N 3.31Å; L242-L246 HydrophobicContact CD1-CD1 4.05Å; L242-L246 HydrophobicContact CD1-CG 4.08Å; L242-L246 HydrophobicContact CG-CD1 3.85Å; L242-L246 HydrophobicContact CG-CG 4.35Å; L242-L246 VanDerWaalsContact O-CB 3.31Å; L242-L246 WeakPolarHBondContact O-CB 3.42Å; L242-L246 WeakPolarHBondContact O-CD1 3.31Å; L242-L246 WeakPolarHBondContact O-CG 3.29Å; L242-L246 PolarHBondContact O-N 3.24Å; L242-A268 HydrophobicContact CB-CB 4.48Å; L242-A268 HydrophobicContact CD2-CB 4.12Å; L242-A268 HydrophobicContact CG-CB 4.24Å; L242-I271 HydrophobicContact CD2-CG2 4.39Å; L242-I272 HydrophobicContact CD2-CD1 4.18Å; L242-I272 HydrophobicContact CD2-CG1 3.86Å; L242-M287 HydrophobicContact CD1-SD 4.47Å; L242-M287 HydrophobicContact CD2-CE 4.09Å; L242-M287 HydrophobicContact CD2-SD 4.29Å
243	V	96.1	Very high	92.3	Very high	23 Å²	23	51.5 Å²	51.5	14%	0.139	27%	0.268	C	S	.	.	H	α-helix	trans	-60.3	-43.6	172.5	169.5	0	0	0	0	111.4	V239 D240 L246 N247 P265 A268	V239-V243 HydrophobicContact CG1-CG2 4.47Å; V239-V243 WeakPolarHBondContact O-CG2 3.42Å; V239-V243 PolarHBondContact O-N 3.05Å; D240-V243 PolarHBondContact O-N 2.86Å; V243-L246 PolarHBondContact O-N 3.18Å; V243-N247 WeakPolarHBondContact CG1-ND2 3.49Å; V243-N247 WeakPolarHBondContact O-CB 3.31Å; V243-N247 PolarHBondContact O-N 3.2Å; V243-N247 VanDerWaalsContact O-N 3.09Å; V243-N247 PolarHBondContact O-ND2 2.95Å; V243-P265 HydrophobicContact CG2-CG 4.39Å; V243-A268 HydrophobicContact CG2-CB 3.57Å
244	S	95.6	Very high	92.7	Very high	52 Å²	52	46.8 Å²	46.8	36%	0.364	25%	0.246	S	C	.	.	H	α-helix	trans	-58.8	-55.8	175.2	-135.2	0	0	0	0	110.5	D240 Q241 L246 N247 E248	D240-S244 PolarHBondContact O-N 3.14Å; Q241-S244 PolarHBondContact O-N 2.98Å; S244-L246 VanDerWaalsContact C-N 3.34Å; S244-L246 PolarHBondContact O-N 2.92Å; S244-N247 PolarHBondContact O-N 3.41Å; S244-N247 VanDerWaalsContact O-N 3.17Å; S244-E248 WeakPolarHBondContact CB-OE2 3.22Å; S244-E248 VanDerWaalsContact O-CB 3.28Å; S244-E248 WeakPolarHBondContact O-CB 3.43Å; S244-E248 WeakPolarHBondContact O-CG 3.38Å; S244-E248 PolarHBondContact O-N 3.32Å; S244-E248 PolarHBondContact OG-OE2 3.28Å
245	F	95.6	Very high	92.7	Very high	3 Å²	3	46.9 Å²	46.9	1%	0.013	25%	0.245	C	C	.	.	H	α-helix	trans	-54.7	-45.4	177.8	172	-103.2	0	0	0	113.2	L225 I229 Q241 L242 N247 N249 Q250 F292 Y295 L296 Y842	L225-F245 HydrophobicContact CD1-CE2 4.38Å; L225-F245 HydrophobicContact CD2-CE2 4.41Å; I229-F245 HydrophobicContact CD1-CB 4.41Å; I229-F245 HydrophobicContact CD1-CD2 3.37Å; I229-F245 HydrophobicContact CD1-CE2 3.71Å; I229-F245 HydrophobicContact CD1-CG 3.91Å; I229-F245 HydrophobicContact CD1-CZ 4.5Å; I229-F245 HydrophobicContact CG1-CD2 3.96Å; I229-F245 HydrophobicContact CG2-CB 4.33Å; Q241-F245 WeakPolarHBondContact O-CB 3.34Å; Q241-F245 PolarHBondContact O-N 3.05Å; L242-F245 HydrophobicContact CD1-CD1 4.34Å; L242-F245 PolarHBondContact O-N 3.31Å; F245-N247 VanDerWaalsContact C-N 3.34Å; F245-N247 PolarHBondContact O-N 3.2Å; F245-N249 HydrophobicContact CD2-CB 3.88Å; F245-N249 WeakPolarHBondContact CD2-OD1 3.38Å; F245-N249 HydrophobicContact CE2-CB 3.97Å; F245-N249 WeakPolarHBondContact O-CA 3.12Å; F245-N249 WeakPolarHBondContact O-CB 2.94Å; F245-N249 PolarHBondContact O-N 3.33Å; F245-Q250 HydrophobicContact CD1-CG 3.97Å; F245-Q250 HydrophobicContact CE1-CG 3.36Å; F245-Q250 HydrophobicContact CE2-CG 4.38Å; F245-Q250 VanDerWaalsContact CZ-CD 3.47Å; F245-Q250 HydrophobicContact CZ-CG 3.6Å; F245-Q250 PolarHBondContact O-N 3.26Å; F245-Q250 VanDerWaalsContact O-N 3.12Å; F245-F292 AromaticContact CD1-CE2 3.92Å; F245-F292 HydrophobicContact CD1-CE2 3.92Å; F245-F292 HydrophobicContact CD1-CZ 4.37Å; F245-F292 AromaticContact CE1-CE2 3.59Å; F245-F292 HydrophobicContact CE1-CE2 3.59Å; F245-F292 AromaticContact CE1-CZ 3.83Å; F245-F292 HydrophobicContact CE1-CZ 3.83Å; F245-F292 HydrophobicContact CE2-CZ 4.11Å; F245-F292 AromaticContact CZ-CE2 3.97Å; F245-F292 HydrophobicContact CZ-CE2 3.97Å; F245-F292 AromaticContact CZ-CZ 3.7Å; F245-F292 HydrophobicContact CZ-CZ 3.7Å; F245-Y295 HydrophobicContact CE1-CE1 4.42Å; F245-L296 HydrophobicContact CE1-CD2 4.42Å; F245-L296 HydrophobicContact CZ-CD2 4.21Å; F245-Y842 AromaticContact CE2-CD2 3.68Å; F245-Y842 HydrophobicContact CE2-CD2 3.68Å; F245-Y842 HydrophobicContact CE2-CE2 4.06Å; F245-Y842 HydrophobicContact CZ-CD2 4.03Å
246	L	94.7	Very high	92.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66	-34.6	-178.5	-72.5	170	0	0	0	112.7	L242 V243 S244 Q250 R251 Y263 I271 Y295	L242-L246 HydrophobicContact CD1-CD1 4.05Å; L242-L246 HydrophobicContact CD1-CG 4.08Å; L242-L246 HydrophobicContact CG-CD1 3.85Å; L242-L246 HydrophobicContact CG-CG 4.35Å; L242-L246 VanDerWaalsContact O-CB 3.31Å; L242-L246 WeakPolarHBondContact O-CB 3.42Å; L242-L246 WeakPolarHBondContact O-CD1 3.31Å; L242-L246 WeakPolarHBondContact O-CG 3.29Å; L242-L246 PolarHBondContact O-N 3.24Å; V243-L246 PolarHBondContact O-N 3.18Å; S244-L246 VanDerWaalsContact C-N 3.34Å; S244-L246 PolarHBondContact O-N 2.92Å; L246-Q250 HydrophobicContact CD2-CB 4.42Å; L246-Q250 HydrophobicContact CD2-CG 4.28Å; L246-Q250 CarbonylContact O-C 3.59Å; L246-R251 PolarHBondContact O-N 3.05Å; L246-R251 VanDerWaalsContact O-N 3.11Å; L246-Y263 HydrophobicContact CB-CD1 4.11Å; L246-Y263 HydrophobicContact CB-CD2 3.53Å; L246-Y263 HydrophobicContact CB-CE1 4.48Å; L246-Y263 HydrophobicContact CB-CE2 3.93Å; L246-Y263 HydrophobicContact CB-CG 3.63Å; L246-Y263 HydrophobicContact CD1-CD1 3.85Å; L246-Y263 HydrophobicContact CD1-CE1 4.34Å; L246-Y263 HydrophobicContact CD1-CG 4.1Å; L246-Y263 HydrophobicContact CD2-CD1 4.49Å; L246-Y263 HydrophobicContact CD2-CE1 4.23Å; L246-Y263 HydrophobicContact CG-CD1 4.39Å; L246-Y263 HydrophobicContact CG-CG 4.39Å; L246-Y263 WeakPolarHBondContact O-CD2 3.16Å; L246-Y263 WeakPolarHBondContact O-CE2 2.92Å; L246-I271 HydrophobicContact CD1-CD1 3.78Å; L246-Y295 HydrophobicContact CD2-CE1 3.93Å; L246-Y295 VanDerWaalsContact CD2-OH 3.27Å; L246-Y295 WeakPolarHBondContact CD2-OH 3.23Å
247	N	94.1	Very high	92.3	Very high	34 Å²	34	46.5 Å²	46.5	18%	0.182	24%	0.243	C	C	.	.	H	α-helix	trans	-88	-37.2	179.8	-72.5	-45.5	0	0	0	113.9	V243 S244 F245 R251 F262 Y263	V243-N247 WeakPolarHBondContact CG1-ND2 3.49Å; V243-N247 WeakPolarHBondContact O-CB 3.31Å; V243-N247 PolarHBondContact O-N 3.2Å; V243-N247 VanDerWaalsContact O-N 3.09Å; V243-N247 PolarHBondContact O-ND2 2.95Å; S244-N247 PolarHBondContact O-N 3.41Å; S244-N247 VanDerWaalsContact O-N 3.17Å; F245-N247 VanDerWaalsContact C-N 3.34Å; F245-N247 PolarHBondContact O-N 3.2Å; N247-R251 WeakPolarHBondContact O-CB 3.48Å; N247-F262 HydrophobicContact CB-CD1 4.26Å; N247-F262 WeakPolarHBondContact OD1-CA 3.37Å; N247-F262 WeakPolarHBondContact OD1-CB 3.24Å; N247-F262 WeakPolarHBondContact OD1-CD1 3.32Å; N247-Y263 PolarHBondContact ND2-O 3.48Å; N247-Y263 WeakPolarHBondContact OD1-CD2 3.34Å; N247-Y263 PolarHBondContact OD1-N 2.76Å
248	E	92.6	Very high	91.9	Very high	139 Å²	139	53.6 Å²	53.6	65%	0.65	28%	0.279	S	S	*	.	H	α-helix	trans	-93.4	-20.7	-174.4	-60.9	176.3	124.6	0	0	113.3	S244	S244-E248 WeakPolarHBondContact CB-OE2 3.22Å; S244-E248 VanDerWaalsContact O-CB 3.28Å; S244-E248 WeakPolarHBondContact O-CB 3.43Å; S244-E248 WeakPolarHBondContact O-CG 3.38Å; S244-E248 PolarHBondContact O-N 3.32Å; S244-E248 PolarHBondContact OG-OE2 3.28Å
249	N	93.1	Very high	91.5	Very high	54 Å²	54	57.6 Å²	57.6	29%	0.289	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	-40.8	-178.2	-53.7	152.1	0	0	0	113.4	F245 G841 Y842	F245-N249 HydrophobicContact CD2-CB 3.88Å; F245-N249 WeakPolarHBondContact CD2-OD1 3.38Å; F245-N249 HydrophobicContact CE2-CB 3.97Å; F245-N249 WeakPolarHBondContact O-CA 3.12Å; F245-N249 WeakPolarHBondContact O-CB 2.94Å; F245-N249 PolarHBondContact O-N 3.33Å; N249-G841 WeakPolarHBondContact O-CA 3.4Å; N249-G841 PolarHBondContact O-N 3.43Å; N249-Y842 HydrophobicContact CB-CE2 4.33Å
250	Q	93.5	Very high	91	Very high	3 Å²	3	59.8 Å²	59.8	1%	0.014	31%	0.306	C	S	.	.	S	Bend	trans	-92.8	-14.8	-176.3	-56.1	-58.8	95.9	0	0	115.4	F245 L246 N301 Y842 R843	F245-Q250 HydrophobicContact CD1-CG 3.97Å; F245-Q250 HydrophobicContact CE1-CG 3.36Å; F245-Q250 HydrophobicContact CE2-CG 4.38Å; F245-Q250 VanDerWaalsContact CZ-CD 3.47Å; F245-Q250 HydrophobicContact CZ-CG 3.6Å; F245-Q250 PolarHBondContact O-N 3.26Å; F245-Q250 VanDerWaalsContact O-N 3.12Å; L246-Q250 HydrophobicContact CD2-CB 4.42Å; L246-Q250 HydrophobicContact CD2-CG 4.28Å; L246-Q250 CarbonylContact O-C 3.59Å; Q250-N301 PolarHBondContact NE2-OD1 3.19Å; Q250-Y842 PolarHBondContact NE2-O 2.99Å; Q250-R843 PolarHBondContact O-NH2 2.91Å
251	R	90.7	Very high	90.7	Very high	25 Å²	25	56.9 Å²	56.9	9%	0.094	29%	0.293	C	S	.	.	S	Bend	trans	-86.3	134.2	176.8	-167.8	-176.4	-176.3	-77.1	-0.3	110.4	L246 N247 P253 L255 F260	L246-R251 PolarHBondContact O-N 3.05Å; L246-R251 VanDerWaalsContact O-N 3.11Å; N247-R251 WeakPolarHBondContact O-CB 3.48Å; R251-P253 WeakPolarHBondContact O-CD 3.3Å; R251-L255 PolarHBondContact NH1-O 3.49Å; R251-L255 PolarHBondContact NH2-O 3.15Å; R251-F260 PolarHBondContact NE-O 2.59Å; R251-F260 PolarHBondContact NH2-O 2.9Å
252	D	89.3	Confident	90.5	Very high	4 Å²	4	59.2 Å²	59.2	2%	0.021	30%	0.303	C	S	.	.			trans	-75.3	120.2	166.6	-179.9	-11.9	0	0	0	109.3	R254 L255 A840	D252-R254 PolarHBondContact O-N 3.25Å; D252-R254 VanDerWaalsContact OD1-CB 3.25Å; D252-R254 WeakPolarHBondContact OD1-CB 3.33Å; D252-R254 VanDerWaalsContact OD1-CG 3.24Å; D252-R254 WeakPolarHBondContact OD1-CG 3.33Å; D252-R254 PolarHBondContact OD1-N 3.35Å; D252-R254 IonicContact OD1-NE 3.76Å; D252-R254 PolarHBondContact OD1-NE 3.32Å; D252-R254 IonicContact OD2-CZ 3.73Å; D252-R254 VanDerWaalsContact OD2-CZ 3.22Å; D252-R254 IonicContact OD2-NE 2.84Å; D252-R254 PolarHBondContact OD2-NE 3.02Å; D252-R254 IonicContact OD2-NH2 2.69Å; D252-R254 PolarHBondContact OD2-NH2 3.45Å; D252-L255 HydrophobicContact CB-CD1 3.86Å; D252-L255 HydrophobicContact CB-CG 3.97Å; D252-L255 PolarHBondContact O-N 1.85Å; D252-A840 HydrophobicContact CB-CB 3.96Å
253	P	86.4	Confident	90.4	Very high	86 Å²	86	59.9 Å²	59.9	56%	0.558	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-17.1	-179.2	29.1	-36.6	0	0	0	113.7	R251 L255 L866	R251-P253 WeakPolarHBondContact O-CD 3.3Å; P253-L255 PolarHBondContact O-N 2.86Å; P253-L866 VanDerWaalsContact CD-O 3.29Å; P253-L866 WeakPolarHBondContact CD-O 3.34Å; P253-L866 VanDerWaalsContact CG-O 3.23Å; P253-L866 WeakPolarHBondContact CG-O 3.32Å
254	R	85.8	Confident	90.3	Very high	76 Å²	76	62.5 Å²	62.5	29%	0.287	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-19.9	176.5	-56.2	177.1	-58.9	155.8	7.2	112.7	D252	D252-R254 PolarHBondContact O-N 3.25Å; D252-R254 VanDerWaalsContact OD1-CB 3.25Å; D252-R254 WeakPolarHBondContact OD1-CB 3.33Å; D252-R254 VanDerWaalsContact OD1-CG 3.24Å; D252-R254 WeakPolarHBondContact OD1-CG 3.33Å; D252-R254 PolarHBondContact OD1-N 3.35Å; D252-R254 IonicContact OD1-NE 3.76Å; D252-R254 PolarHBondContact OD1-NE 3.32Å; D252-R254 IonicContact OD2-CZ 3.73Å; D252-R254 VanDerWaalsContact OD2-CZ 3.22Å; D252-R254 IonicContact OD2-NE 2.84Å; D252-R254 PolarHBondContact OD2-NE 3.02Å; D252-R254 IonicContact OD2-NH2 2.69Å; D252-R254 PolarHBondContact OD2-NH2 3.45Å
255	L	86.6	Confident	90.2	Very high	39 Å²	39	63.3 Å²	63.3	20%	0.204	32%	0.322	C	S	.	.	S	Bend	trans	-75.4	132.5	-176	-62.9	172.3	0	0	0	111.6	R251 D252 P253 E257 F260 F305	R251-L255 PolarHBondContact NH1-O 3.49Å; R251-L255 PolarHBondContact NH2-O 3.15Å; D252-L255 HydrophobicContact CB-CD1 3.86Å; D252-L255 HydrophobicContact CB-CG 3.97Å; D252-L255 PolarHBondContact O-N 1.85Å; P253-L255 PolarHBondContact O-N 2.86Å; L255-E257 PolarHBondContact O-N 3.42Å; L255-F260 HydrophobicContact CB-CB 4.05Å; L255-F260 HydrophobicContact CB-CD2 3.97Å; L255-F260 HydrophobicContact CB-CG 4.13Å; L255-F260 HydrophobicContact CD1-CB 4.49Å; L255-F260 HydrophobicContact CD1-CD1 4.48Å; L255-F260 HydrophobicContact CD1-CG 4.3Å; L255-F260 HydrophobicContact CD2-CD2 4.09Å; L255-F260 HydrophobicContact CD2-CE2 4.07Å; L255-F260 HydrophobicContact CD2-CZ 4.47Å; L255-F260 HydrophobicContact CG-CD2 4.46Å; L255-F305 HydrophobicContact CD1-CZ 3.84Å; L255-F305 HydrophobicContact CD2-CZ 4.47Å
256	N	87.3	Confident	90.2	Very high	83 Å²	83	70.1 Å²	70.1	44%	0.444	35%	0.352	S	S	.	.			trans	-58.4	130.7	176.9	178	-81.6	0	0	0	112.1	I258 L259 F260	N256-I258 VanDerWaalsContact C-N 3.3Å; N256-I258 PolarHBondContact O-N 2.72Å; N256-I258 WeakPolarHBondContact OD1-CA 3.49Å; N256-I258 WeakPolarHBondContact OD1-CB 3.39Å; N256-I258 PolarHBondContact OD1-N 3.18Å; N256-L259 HydrophobicContact CB-CB 4.39Å; N256-L259 HydrophobicContact CB-CD1 4.32Å; N256-L259 HydrophobicContact CB-CG 4.45Å; N256-L259 PolarHBondContact OD1-N 2.69Å; N256-F260 WeakPolarHBondContact O-CA 3.49Å; N256-F260 WeakPolarHBondContact O-CB 3.46Å; N256-F260 PolarHBondContact O-N 2.73Å
257	E	87.5	Confident	90	Very high	120 Å²	120	70.6 Å²	70.6	56%	0.561	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-14	-173.4	-59.3	-179.5	176.2	0	0	115	L255 P261 F262	L255-E257 PolarHBondContact O-N 3.42Å; E257-P261 WeakPolarHBondContact O-CA 3.44Å; E257-F262 HydrophobicContact CB-CE2 4.17Å; E257-F262 VanDerWaalsContact CD-CE2 3.45Å; E257-F262 HydrophobicContact CG-CE2 3.78Å; E257-F262 HydrophobicContact CG-CZ 3.93Å; E257-F262 WeakPolarHBondContact OE1-CZ 3.46Å
258	I	86	Confident	90.1	Very high	150 Å²	150	69 Å²	69	77%	0.769	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-42.8	177.3	-55.4	176.7	0	0	0	110	N256	N256-I258 VanDerWaalsContact C-N 3.3Å; N256-I258 PolarHBondContact O-N 2.72Å; N256-I258 WeakPolarHBondContact OD1-CA 3.49Å; N256-I258 WeakPolarHBondContact OD1-CB 3.39Å; N256-I258 PolarHBondContact OD1-N 3.18Å
259	L	85.4	Confident	90.2	Very high	130 Å²	130	64.8 Å²	64.8	68%	0.681	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-38.8	176.5	-61.2	177.2	0	0	0	111.8	N256 P261	N256-L259 HydrophobicContact CB-CB 4.39Å; N256-L259 HydrophobicContact CB-CD1 4.32Å; N256-L259 HydrophobicContact CB-CG 4.45Å; N256-L259 PolarHBondContact OD1-N 2.69Å; L259-P261 WeakPolarHBondContact O-CD 3.33Å
260	F	85.5	Confident	90.2	Very high	70 Å²	70	65.7 Å²	65.7	31%	0.307	33%	0.329	S	S	.	.	S	Bend	trans	-121.9	74.6	177.8	-57.8	-86.6	0	0	0	109.3	R251 L255 N256 F305	R251-F260 PolarHBondContact NE-O 2.59Å; R251-F260 PolarHBondContact NH2-O 2.9Å; L255-F260 HydrophobicContact CB-CB 4.05Å; L255-F260 HydrophobicContact CB-CD2 3.97Å; L255-F260 HydrophobicContact CB-CG 4.13Å; L255-F260 HydrophobicContact CD1-CB 4.49Å; L255-F260 HydrophobicContact CD1-CD1 4.48Å; L255-F260 HydrophobicContact CD1-CG 4.3Å; L255-F260 HydrophobicContact CD2-CD2 4.09Å; L255-F260 HydrophobicContact CD2-CE2 4.07Å; L255-F260 HydrophobicContact CD2-CZ 4.47Å; L255-F260 HydrophobicContact CG-CD2 4.46Å; N256-F260 WeakPolarHBondContact O-CA 3.49Å; N256-F260 WeakPolarHBondContact O-CB 3.46Å; N256-F260 PolarHBondContact O-N 2.73Å; F260-F305 HydrophobicContact CE1-CE1 4.25Å; F260-F305 HydrophobicContact CE1-CZ 4.28Å
261	P	89.1	Confident	90.2	Very high	53 Å²	53	65.6 Å²	65.6	34%	0.344	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-59.4	158.6	179.6	26.3	-35.1	0	0	0	111.7	T2 E257 L259	T2-P261 WeakPolarHBondContact CB-O 3.47Å; T2-P261 WeakPolarHBondContact CG2-O 3.38Å; T2-P261 PolarHBondContact OG1-O 3.4Å; E257-P261 WeakPolarHBondContact O-CA 3.44Å; L259-P261 WeakPolarHBondContact O-CD 3.33Å
262	F	91.3	Very high	90.5	Very high	99 Å²	99	64.4 Å²	64.4	43%	0.434	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-62.3	157.2	175.4	-66.3	-80.2	0	0	0	112.3	N247 E257	N247-F262 HydrophobicContact CB-CD1 4.26Å; N247-F262 WeakPolarHBondContact OD1-CA 3.37Å; N247-F262 WeakPolarHBondContact OD1-CB 3.24Å; N247-F262 WeakPolarHBondContact OD1-CD1 3.32Å; E257-F262 HydrophobicContact CB-CE2 4.17Å; E257-F262 VanDerWaalsContact CD-CE2 3.45Å; E257-F262 HydrophobicContact CG-CE2 3.78Å; E257-F262 HydrophobicContact CG-CZ 3.93Å; E257-F262 WeakPolarHBondContact OE1-CZ 3.46Å
263	Y	92.3	Very high	90.7	Very high	15 Å²	15	69.3 Å²	69.3	6%	0.059	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-70.4	134.7	170.6	-65.9	-93.9	0	0	0	109.2	M1 T2 L246 N247 R267	M1-Y263 PolarHBondContact N-OH 2.93Å; M1-Y263 VanDerWaalsContact O-CE1 3.27Å; M1-Y263 WeakPolarHBondContact O-CE1 3.34Å; T2-Y263 HydrophobicContact CG2-CD1 3.71Å; T2-Y263 HydrophobicContact CG2-CD2 3.41Å; T2-Y263 VanDerWaalsContact CG2-CD2 3.41Å; T2-Y263 HydrophobicContact CG2-CE1 3.75Å; T2-Y263 HydrophobicContact CG2-CE2 3.48Å; T2-Y263 VanDerWaalsContact CG2-CE2 3.48Å; T2-Y263 HydrophobicContact CG2-CG 3.54Å; L246-Y263 HydrophobicContact CB-CD1 4.11Å; L246-Y263 HydrophobicContact CB-CD2 3.53Å; L246-Y263 HydrophobicContact CB-CE1 4.48Å; L246-Y263 HydrophobicContact CB-CE2 3.93Å; L246-Y263 HydrophobicContact CB-CG 3.63Å; L246-Y263 HydrophobicContact CD1-CD1 3.85Å; L246-Y263 HydrophobicContact CD1-CE1 4.34Å; L246-Y263 HydrophobicContact CD1-CG 4.1Å; L246-Y263 HydrophobicContact CD2-CD1 4.49Å; L246-Y263 HydrophobicContact CD2-CE1 4.23Å; L246-Y263 HydrophobicContact CG-CD1 4.39Å; L246-Y263 HydrophobicContact CG-CG 4.39Å; L246-Y263 WeakPolarHBondContact O-CD2 3.16Å; L246-Y263 WeakPolarHBondContact O-CE2 2.92Å; N247-Y263 PolarHBondContact ND2-O 3.48Å; N247-Y263 WeakPolarHBondContact OD1-CD2 3.34Å; N247-Y263 PolarHBondContact OD1-N 2.76Å; Y263-R267 HydrophobicContact CD1-CG 3.88Å; Y263-R267 HydrophobicContact CE1-CG 4.5Å
264	D	93.4	Very high	91	Very high	77 Å²	77	70.5 Å²	70.5	41%	0.412	34%	0.343	S	S	.	.			trans	-108.9	168.9	176.8	75.3	-10.6	0	0	0	111.4	K266 R267 A268	D264-K266 PolarHBondContact O-N 3.33Å; D264-K266 PolarHBondContact OD1-N 2.94Å; D264-R267 PolarHBondContact O-N 2.85Å; D264-R267 VanDerWaalsContact O-N 3.16Å; D264-R267 VanDerWaalsContact OD1-CB 3.22Å; D264-R267 WeakPolarHBondContact OD1-CB 3.5Å; D264-R267 PolarHBondContact OD1-N 2.94Å; D264-A268 PolarHBondContact O-N 2.87Å
265	P	95.2	Very high	91.4	Very high	69 Å²	69	68.1 Å²	68.1	45%	0.448	33%	0.334	S	S	.	.	H	α-helix	trans	-58.6	-29.2	177.9	-27.9	36.9	0	0	0	113.8	V239 V243 M269	V239-P265 HydrophobicContact CG1-CB 3.83Å; V239-P265 WeakPolarHBondContact CG1-O 3.4Å; V243-P265 HydrophobicContact CG2-CG 4.39Å; P265-M269 WeakPolarHBondContact O-CB 3.43Å; P265-M269 WeakPolarHBondContact O-CG 3.48Å; P265-M269 PolarHBondContact O-N 2.83Å
266	K	93.9	Very high	91.9	Very high	147 Å²	147	66.5 Å²	66.5	64%	0.639	33%	0.326	S	S	*	.	H	α-helix	trans	-66.8	-44.2	176.6	-176.4	-178.5	179.1	-179.3	0	111.3	D264 M269 Q270	D264-K266 PolarHBondContact O-N 3.33Å; D264-K266 PolarHBondContact OD1-N 2.94Å; K266-M269 PolarHBondContact O-N 3.41Å; K266-Q270 WeakPolarHBondContact O-CG 3.3Å; K266-Q270 PolarHBondContact O-N 2.94Å; K266-Q270 VanDerWaalsContact O-N 3.1Å
267	R	92.1	Very high	92.1	Very high	10 Å²	10	69 Å²	69	4%	0.038	33%	0.329	C	S	.	.	H	α-helix	trans	-69.1	-37.7	177	-173.7	61.3	174.5	116.5	16	111.7	M1 T2 K3 Y263 D264 Q270 I271 E300	M1-R267 PolarHBondContact O-NH2 2.64Å; M1-R267 VanDerWaalsContact O-NH2 3.14Å; T2-R267 WeakPolarHBondContact O-CD 3.35Å; T2-R267 VanDerWaalsContact O-CG 3.3Å; T2-R267 WeakPolarHBondContact O-CG 3.32Å; T2-R267 PolarHBondContact O-NE 3.35Å; K3-R267 PolarHBondContact O-NE 3.03Å; K3-R267 PolarHBondContact O-NH2 2.85Å; Y263-R267 HydrophobicContact CD1-CG 3.88Å; Y263-R267 HydrophobicContact CE1-CG 4.5Å; D264-R267 PolarHBondContact O-N 2.85Å; D264-R267 VanDerWaalsContact O-N 3.16Å; D264-R267 VanDerWaalsContact OD1-CB 3.22Å; D264-R267 WeakPolarHBondContact OD1-CB 3.5Å; D264-R267 PolarHBondContact OD1-N 2.94Å; R267-Q270 VanDerWaalsContact CD-OE1 3.3Å; R267-Q270 PolarHBondContact O-N 3.37Å; R267-I271 WeakPolarHBondContact O-CG1 3.42Å; R267-I271 PolarHBondContact O-N 3.04Å; R267-E300 IonicContact CZ-OE2 2.85Å; R267-E300 IonicContact NH1-OE2 2.79Å; R267-E300 PolarHBondContact NH1-OE2 3.3Å; R267-E300 IonicContact NH2-OE2 3.2Å; R267-E300 PolarHBondContact NH2-OE2 3.23Å
268	A	94.2	Very high	92.4	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-62.6	-41.7	172.2	0	0	0	0	0	112	V239 L242 V243 D264 Q270 I271 I272	V239-A268 HydrophobicContact CG1-CB 3.76Å; L242-A268 HydrophobicContact CB-CB 4.48Å; L242-A268 HydrophobicContact CD2-CB 4.12Å; L242-A268 HydrophobicContact CG-CB 4.24Å; V243-A268 HydrophobicContact CG2-CB 3.57Å; D264-A268 PolarHBondContact O-N 2.87Å; A268-Q270 PolarHBondContact O-N 3.3Å; A268-I271 PolarHBondContact O-N 2.72Å; A268-I272 WeakPolarHBondContact O-CG1 3.31Å; A268-I272 PolarHBondContact O-N 2.9Å
269	M	95	Very high	92.8	Very high	51 Å²	51	64.5 Å²	64.5	25%	0.251	31%	0.307	S	S	.	.	H	α-helix	trans	-59.4	-43.8	172.6	-79.9	-61.8	-60.1	0	0	113	V239 P265 K266 I271 I272 E273 G285	V239-M269 HydrophobicContact CG1-CG 4.25Å; V239-M269 HydrophobicContact CG2-CG 4.17Å; V239-M269 HydrophobicContact CG2-SD 3.57Å; V239-M269 VanDerWaalsContact CG2-SD 3.57Å; P265-M269 WeakPolarHBondContact O-CB 3.43Å; P265-M269 WeakPolarHBondContact O-CG 3.48Å; P265-M269 PolarHBondContact O-N 2.83Å; K266-M269 PolarHBondContact O-N 3.41Å; M269-I271 VanDerWaalsContact C-N 3.26Å; M269-I271 PolarHBondContact O-N 3.39Å; M269-I272 WeakPolarHBondContact O-CB 3.48Å; M269-I272 PolarHBondContact O-N 3.07Å; M269-I272 VanDerWaalsContact O-N 3.08Å; M269-I272 HydrophobicContact SD-CD1 4.12Å; M269-E273 WeakPolarHBondContact O-CG 3.14Å; M269-E273 PolarHBondContact O-N 3.14Å; M269-G285 VanDerWaalsContact SD-CA 3.54Å
270	Q	93.9	Very high	93.2	Very high	73 Å²	73	62.8 Å²	62.8	34%	0.341	30%	0.296	S	S	.	.	H	α-helix	trans	-58.8	-37.2	175.4	-70.9	176.5	-17.5	0	0	113	K266 R267 A268 K274	K266-Q270 WeakPolarHBondContact O-CG 3.3Å; K266-Q270 PolarHBondContact O-N 2.94Å; K266-Q270 VanDerWaalsContact O-N 3.1Å; R267-Q270 VanDerWaalsContact CD-OE1 3.3Å; R267-Q270 PolarHBondContact O-N 3.37Å; A268-Q270 PolarHBondContact O-N 3.3Å; Q270-K274 VanDerWaalsContact O-CB 3.27Å; Q270-K274 WeakPolarHBondContact O-CB 3.37Å; Q270-K274 PolarHBondContact O-N 2.59Å; Q270-K274 VanDerWaalsContact O-N 3.11Å
271	I	93.9	Very high	93.6	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-69	-39.4	176.6	-65.5	166.8	0	0	0	110	L242 L246 R267 A268 M269 Y275 M287 Y295	L242-I271 HydrophobicContact CD2-CG2 4.39Å; L246-I271 HydrophobicContact CD1-CD1 3.78Å; R267-I271 WeakPolarHBondContact O-CG1 3.42Å; R267-I271 PolarHBondContact O-N 3.04Å; A268-I271 PolarHBondContact O-N 2.72Å; M269-I271 VanDerWaalsContact C-N 3.26Å; M269-I271 PolarHBondContact O-N 3.39Å; I271-Y275 HydrophobicContact CG2-CD2 3.84Å; I271-Y275 HydrophobicContact CG2-CE2 4.37Å; I271-Y275 WeakPolarHBondContact O-CB 3.49Å; I271-Y275 VanDerWaalsContact O-CD2 3.3Å; I271-Y275 WeakPolarHBondContact O-CD2 3.33Å; I271-Y275 PolarHBondContact O-N 2.85Å; I271-M287 HydrophobicContact CG2-CE 4Å; I271-Y295 HydrophobicContact CD1-CE2 4.32Å; I271-Y295 HydrophobicContact CG2-CD2 3.55Å; I271-Y295 HydrophobicContact CG2-CE2 4.07Å; I271-Y295 HydrophobicContact CG2-CG 3.91Å
272	I	95.5	Very high	93.8	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.2	-51.9	173.5	-64.9	165.3	0	0	0	110.7	V239 L242 A268 M269 K274 Y275 E276 R286 M287	V239-I272 HydrophobicContact CG2-CD1 4.08Å; L242-I272 HydrophobicContact CD2-CD1 4.18Å; L242-I272 HydrophobicContact CD2-CG1 3.86Å; A268-I272 WeakPolarHBondContact O-CG1 3.31Å; A268-I272 PolarHBondContact O-N 2.9Å; M269-I272 WeakPolarHBondContact O-CB 3.48Å; M269-I272 PolarHBondContact O-N 3.07Å; M269-I272 VanDerWaalsContact O-N 3.08Å; M269-I272 HydrophobicContact SD-CD1 4.12Å; I272-K274 VanDerWaalsContact C-N 3.25Å; I272-K274 PolarHBondContact O-N 3.43Å; I272-Y275 PolarHBondContact O-N 2.9Å; I272-E276 HydrophobicContact CG2-CB 4.36Å; I272-E276 WeakPolarHBondContact O-CB 3.4Å; I272-E276 PolarHBondContact O-N 3.08Å; I272-R286 WeakPolarHBondContact CG2-O 3.22Å; I272-M287 HydrophobicContact CG1-CB 4.25Å; I272-M287 HydrophobicContact CG1-CE 4.06Å
273	E	94.7	Very high	93.9	Very high	107 Å²	107	62.5 Å²	62.5	50%	0.5	29%	0.29	S	S	.	.	H	α-helix	trans	-55.5	-39.3	-179.8	-71.9	164.9	176.1	0	0	112.6	M269 K282	M269-E273 WeakPolarHBondContact O-CG 3.14Å; M269-E273 PolarHBondContact O-N 3.14Å; E273-K282 WeakPolarHBondContact O-CE 3.46Å; E273-K282 PolarHBondContact O-NZ 3.42Å
274	K	93.1	Very high	94	Very high	112 Å²	112	67 Å²	67	49%	0.487	31%	0.31	S	S	.	.	H	α-helix	trans	-80.6	-39.3	-177.1	-175.6	171.9	178.4	178.4	0	114.6	Q270 I272 E300	Q270-K274 VanDerWaalsContact O-CB 3.27Å; Q270-K274 WeakPolarHBondContact O-CB 3.37Å; Q270-K274 PolarHBondContact O-N 2.59Å; Q270-K274 VanDerWaalsContact O-N 3.11Å; I272-K274 VanDerWaalsContact C-N 3.25Å; I272-K274 PolarHBondContact O-N 3.43Å; K274-E300 WeakPolarHBondContact CD-OE1 3.36Å; K274-E300 WeakPolarHBondContact CE-OE1 3.46Å; K274-E300 IonicContact NZ-OE1 2.74Å; K274-E300 PolarHBondContact NZ-OE1 2.83Å
275	Y	94.4	Very high	94	Very high	25 Å²	25	63.7 Å²	63.7	10%	0.098	29%	0.294	C	S	.	.	H	α-helix	trans	-107.6	-20	-170	-64.7	-70.6	0	0	0	115.1	I271 I272 G291 R294 Y295 S298 E300	I271-Y275 HydrophobicContact CG2-CD2 3.84Å; I271-Y275 HydrophobicContact CG2-CE2 4.37Å; I271-Y275 WeakPolarHBondContact O-CB 3.49Å; I271-Y275 VanDerWaalsContact O-CD2 3.3Å; I271-Y275 WeakPolarHBondContact O-CD2 3.33Å; I271-Y275 PolarHBondContact O-N 2.85Å; I272-Y275 PolarHBondContact O-N 2.9Å; Y275-G291 WeakPolarHBondContact O-CA 3.32Å; Y275-R294 HydrophobicContact CD1-CB 4.28Å; Y275-R294 WeakPolarHBondContact O-CD 3.28Å; Y275-Y295 HydrophobicContact CD2-CD2 4.06Å; Y275-Y295 AromaticContact CE2-CD2 3.99Å; Y275-Y295 HydrophobicContact CE2-CD2 3.99Å; Y275-S298 WeakPolarHBondContact OH-CB 3.44Å; Y275-S298 PolarHBondContact OH-OG 3.34Å; Y275-E300 PolarHBondContact OH-OE1 2.85Å
276	E	95.6	Very high	94	Very high	6 Å²	6	64.2 Å²	64.2	3%	0.028	29%	0.288	C	S	.	.			trans	-70.9	152.7	171.6	-173.7	48.7	-104.4	0	0	111.1	I272 D278 L281 K282 S288	I272-E276 HydrophobicContact CG2-CB 4.36Å; I272-E276 WeakPolarHBondContact O-CB 3.4Å; I272-E276 PolarHBondContact O-N 3.08Å; E276-D278 HydrophobicContact CG-CB 4.48Å; E276-D278 PolarHBondContact OE1-N 2.99Å; E276-L281 HydrophobicContact CG-CB 4.2Å; E276-K282 VanDerWaalsContact C-CE 3.45Å; E276-K282 HydrophobicContact CB-CG 3.78Å; E276-K282 HydrophobicContact CG-CG 3.83Å; E276-K282 WeakPolarHBondContact O-CE 3.46Å; E276-K282 PolarHBondContact O-NZ 2.9Å; E276-K282 VanDerWaalsContact O-NZ 3.15Å; E276-S288 PolarHBondContact OE1-OG 2.85Å; E276-S288 VanDerWaalsContact OE2-CB 3.27Å; E276-S288 WeakPolarHBondContact OE2-CB 3.32Å; E276-S288 PolarHBondContact OE2-N 3.37Å; E276-S288 PolarHBondContact OE2-OG 3.43Å
277	R	92.8	Very high	94.1	Very high	135 Å²	135	57.3 Å²	57.3	51%	0.509	26%	0.257	S	S	.	.			trans	-111.8	-25.3	173.6	-67.2	-62.4	-138.3	174.7	10.7	112.6	D207 E279	D207-R277 VanDerWaalsContact CG-NH2 3.28Å; D207-R277 IonicContact OD1-CZ 2.62Å; D207-R277 IonicContact OD1-NE 2.75Å; D207-R277 IonicContact OD1-NH2 3.76Å; D207-R277 PolarHBondContact OD1-NH2 3.43Å; D207-R277 IonicContact OD2-NH2 2.69Å; D207-R277 PolarHBondContact OD2-NH2 3.22Å; R277-E279 PolarHBondContact O-N 3.21Å
278	D	93.8	Very high	94.2	Very high	75 Å²	75	57.7 Å²	57.7	40%	0.401	26%	0.262	S	S	.	.			trans	-79.4	108.6	175.6	-173.3	-45.2	0	0	0	111.4	E276 E280 L281 K282	E276-D278 HydrophobicContact CG-CB 4.48Å; E276-D278 PolarHBondContact OE1-N 2.99Å; D278-E280 PolarHBondContact O-N 3.03Å; D278-E280 VanDerWaalsContact OD1-CA 3.25Å; D278-E280 WeakPolarHBondContact OD1-CA 3.33Å; D278-E280 VanDerWaalsContact OD1-CB 3.3Å; D278-E280 WeakPolarHBondContact OD1-CB 3.47Å; D278-E280 PolarHBondContact OD1-N 3.45Å; D278-L281 HydrophobicContact CB-CB 4.04Å; D278-L281 HydrophobicContact CB-CD1 3.96Å; D278-L281 HydrophobicContact CB-CG 3.93Å; D278-L281 PolarHBondContact O-N 3.25Å; D278-L281 VanDerWaalsContact O-N 3.13Å; D278-L281 PolarHBondContact OD1-N 3.11Å; D278-K282 WeakPolarHBondContact O-CG 3.44Å; D278-K282 PolarHBondContact O-N 2.99Å
279	E	93.5	Very high	94.2	Very high	101 Å²	101	59.4 Å²	59.4	47%	0.472	27%	0.273	S	S	.	.	H	α-helix	trans	-63.3	-24.5	178.9	-66	-58	135.5	0	0	113.8	R277 K282 K283	R277-E279 PolarHBondContact O-N 3.21Å; E279-K282 WeakPolarHBondContact OE1-CD 3.48Å; E279-K282 WeakPolarHBondContact OE1-CE 3.26Å; E279-K282 IonicContact OE1-NZ 2.68Å; E279-K282 PolarHBondContact OE1-NZ 3.37Å; E279-K283 VanDerWaalsContact O-CD 3.28Å; E279-K283 WeakPolarHBondContact O-CD 3.43Å; E279-K283 VanDerWaalsContact O-CE 3.22Å; E279-K283 WeakPolarHBondContact O-CE 3.42Å; E279-K283 WeakPolarHBondContact O-CG 3.37Å; E279-K283 PolarHBondContact O-N 3.03Å
280	E	94.6	Very high	94.1	Very high	94 Å²	94	59.3 Å²	59.3	44%	0.439	27%	0.274	S	S	.	.	H	α-helix	trans	-82.1	-23.4	175	-78.1	-59.1	119.8	0	0	112.7	D278 K283 K284	D278-E280 PolarHBondContact O-N 3.03Å; D278-E280 VanDerWaalsContact OD1-CA 3.25Å; D278-E280 WeakPolarHBondContact OD1-CA 3.33Å; D278-E280 VanDerWaalsContact OD1-CB 3.3Å; D278-E280 WeakPolarHBondContact OD1-CB 3.47Å; D278-E280 PolarHBondContact OD1-N 3.45Å; E280-K283 WeakPolarHBondContact OE1-CD 3.44Å; E280-K283 IonicContact OE1-NZ 2.64Å; E280-K283 PolarHBondContact OE1-NZ 3.01Å; E280-K284 WeakPolarHBondContact O-CD 3.42Å; E280-K284 VanDerWaalsContact O-CG 3.22Å; E280-K284 WeakPolarHBondContact O-CG 3.5Å; E280-K284 PolarHBondContact O-NZ 3.13Å; E280-K284 IonicContact OE2-NZ 2.68Å; E280-K284 PolarHBondContact OE2-NZ 3.32Å
281	L	93.8	Very high	94.2	Very high	34 Å²	34	55.8 Å²	55.8	18%	0.178	26%	0.258	C	S	.	.	H	α-helix	trans	-77.9	-42.8	167.1	-66.2	-177.5	0	0	0	111.6	E276 D278 K283 K284 G285 R286	E276-L281 HydrophobicContact CG-CB 4.2Å; D278-L281 HydrophobicContact CB-CB 4.04Å; D278-L281 HydrophobicContact CB-CD1 3.96Å; D278-L281 HydrophobicContact CB-CG 3.93Å; D278-L281 PolarHBondContact O-N 3.25Å; D278-L281 VanDerWaalsContact O-N 3.13Å; D278-L281 PolarHBondContact OD1-N 3.11Å; L281-K283 PolarHBondContact O-N 2.99Å; L281-K284 CarbonylContact O-C 3.48Å; L281-K284 PolarHBondContact O-N 3.36Å; L281-G285 PolarHBondContact O-N 3.33Å; L281-R286 CarbonylContact C-O 3.53Å; L281-R286 HydrophobicContact CB-CB 4.13Å; L281-R286 HydrophobicContact CD2-CB 4.03Å; L281-R286 PolarHBondContact O-N 2.91Å
282	K	92.9	Very high	94.3	Very high	38 Å²	38	55.8 Å²	55.8	17%	0.165	26%	0.258	C	S	.	.	H	α-helix	trans	-52	-55.9	175.1	-74.2	-179.3	-172.8	176.1	0	112.6	E273 E276 D278 E279 K284 G285	E273-K282 WeakPolarHBondContact O-CE 3.46Å; E273-K282 PolarHBondContact O-NZ 3.42Å; E276-K282 VanDerWaalsContact C-CE 3.45Å; E276-K282 HydrophobicContact CB-CG 3.78Å; E276-K282 HydrophobicContact CG-CG 3.83Å; E276-K282 WeakPolarHBondContact O-CE 3.46Å; E276-K282 PolarHBondContact O-NZ 2.9Å; E276-K282 VanDerWaalsContact O-NZ 3.15Å; D278-K282 WeakPolarHBondContact O-CG 3.44Å; D278-K282 PolarHBondContact O-N 2.99Å; E279-K282 WeakPolarHBondContact OE1-CD 3.48Å; E279-K282 WeakPolarHBondContact OE1-CE 3.26Å; E279-K282 IonicContact OE1-NZ 2.68Å; E279-K282 PolarHBondContact OE1-NZ 3.37Å; K282-K284 PolarHBondContact O-N 3.48Å; K282-G285 PolarHBondContact O-N 2.85Å
283	K	92.9	Very high	94.2	Very high	144 Å²	144	56 Å²	56	63%	0.626	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-22.4	179	-68.3	165.6	-154.1	168.6	0	113.5	E279 E280 L281	E279-K283 VanDerWaalsContact O-CD 3.28Å; E279-K283 WeakPolarHBondContact O-CD 3.43Å; E279-K283 VanDerWaalsContact O-CE 3.22Å; E279-K283 WeakPolarHBondContact O-CE 3.42Å; E279-K283 WeakPolarHBondContact O-CG 3.37Å; E279-K283 PolarHBondContact O-N 3.03Å; E280-K283 WeakPolarHBondContact OE1-CD 3.44Å; E280-K283 IonicContact OE1-NZ 2.64Å; E280-K283 PolarHBondContact OE1-NZ 3.01Å; L281-K283 PolarHBondContact O-N 2.99Å
284	K	93.7	Very high	94.3	Very high	108 Å²	108	52.3 Å²	52.3	47%	0.47	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	4.7	-178.7	-63.1	-178	-168.3	88.7	0	113.2	E280 L281 K282 R286	E280-K284 WeakPolarHBondContact O-CD 3.42Å; E280-K284 VanDerWaalsContact O-CG 3.22Å; E280-K284 WeakPolarHBondContact O-CG 3.5Å; E280-K284 PolarHBondContact O-NZ 3.13Å; E280-K284 IonicContact OE2-NZ 2.68Å; E280-K284 PolarHBondContact OE2-NZ 3.32Å; L281-K284 CarbonylContact O-C 3.48Å; L281-K284 PolarHBondContact O-N 3.36Å; K282-K284 PolarHBondContact O-N 3.48Å; K284-R286 HydrophobicContact CB-CG 4.26Å
285	G	93.6	Very high	94.4	Very high	9 Å²	9	47 Å²	47	9%	0.093	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	43.1	-178	0	0	0	0	0	112.9	V239 M269 L281 K282	V239-G285 VanDerWaalsContact CG2-O 3.31Å; V239-G285 WeakPolarHBondContact CG2-O 3.47Å; V239-G285 PolarHBondContact N-O 3.09Å; M269-G285 VanDerWaalsContact SD-CA 3.54Å; L281-G285 PolarHBondContact O-N 3.33Å; K282-G285 PolarHBondContact O-N 2.85Å
286	R	95.5	Very high	94.5	Very high	80 Å²	80	46 Å²	46	30%	0.302	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	144.7	-174.3	-67.8	173.7	-172.1	-157.9	-3	111.7	Y236 L237 I272 L281 K284	Y236-R286 HydrophobicContact CD2-CB 4.18Å; Y236-R286 HydrophobicContact CD2-CG 3.69Å; Y236-R286 VanDerWaalsContact CE1-NH1 3.28Å; Y236-R286 HydrophobicContact CE2-CG 4.14Å; Y236-R286 HydrophobicContact CG-CB 4.31Å; Y236-R286 HydrophobicContact CG-CG 4.19Å; Y236-R286 PolarHBondContact OH-NH1 2.87Å; L237-R286 WeakPolarHBondContact O-CA 3.46Å; I272-R286 WeakPolarHBondContact CG2-O 3.22Å; L281-R286 CarbonylContact C-O 3.53Å; L281-R286 HydrophobicContact CB-CB 4.13Å; L281-R286 HydrophobicContact CD2-CB 4.03Å; L281-R286 PolarHBondContact O-N 2.91Å; K284-R286 HydrophobicContact CB-CG 4.26Å
287	M	96.1	Very high	94.4	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	127.4	176.8	178.3	171.8	-79.5	0	0	110.8	Y236 L237 L242 I271 I272 F292	Y236-M287 CarbonylContact C-O 3.59Å; Y236-M287 VanDerWaalsContact CA-O 3.26Å; Y236-M287 WeakPolarHBondContact CA-O 3.43Å; L237-M287 HydrophobicContact CB-CB 4.45Å; L237-M287 PolarHBondContact N-O 2.75Å; L237-M287 PolarHBondContact O-N 2.97Å; L242-M287 HydrophobicContact CD1-SD 4.47Å; L242-M287 HydrophobicContact CD2-CE 4.09Å; L242-M287 HydrophobicContact CD2-SD 4.29Å; I271-M287 HydrophobicContact CG2-CE 4Å; I272-M287 HydrophobicContact CG1-CB 4.25Å; I272-M287 HydrophobicContact CG1-CE 4.06Å; M287-F292 HydrophobicContact CG-CB 4.09Å; M287-F292 VanDerWaalsContact SD-CA 3.55Å; M287-F292 HydrophobicContact SD-CB 3.81Å; M287-F292 HydrophobicContact SD-CD2 3.99Å; M287-F292 HydrophobicContact SD-CG 4.42Å
288	S	95.3	Very high	94.5	Very high	19 Å²	19	40.2 Å²	40.2	13%	0.133	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	168.8	171.1	67.5	0	0	0	0	112	F226 E276 D290 G291 F292	F226-S288 VanDerWaalsContact CE2-C 3.5Å; E276-S288 PolarHBondContact OE1-OG 2.85Å; E276-S288 VanDerWaalsContact OE2-CB 3.27Å; E276-S288 WeakPolarHBondContact OE2-CB 3.32Å; E276-S288 PolarHBondContact OE2-N 3.37Å; E276-S288 PolarHBondContact OE2-OG 3.43Å; S288-D290 PolarHBondContact O-N 3.03Å; S288-D290 PolarHBondContact OG-N 2.98Å; S288-G291 PolarHBondContact O-N 3.37Å; S288-G291 PolarHBondContact OG-N 3.46Å; S288-F292 WeakPolarHBondContact O-CB 3.38Å; S288-F292 PolarHBondContact O-N 3.04Å
289	S	93.8	Very high	94.3	Very high	35 Å²	35	38.3 Å²	38.3	25%	0.245	18%	0.183	C	C	.	.	H	α-helix	trans	-64.4	-24.6	172.4	-166.7	0	0	0	0	112.9	C293	S289-C293 WeakPolarHBondContact O-CB 3.28Å; S289-C293 PolarHBondContact O-N 3.34Å
290	D	93	Very high	94.1	Very high	49 Å²	49	34 Å²	34	26%	0.262	16%	0.163	S	C	.	.	H	α-helix	trans	-74.2	-48.5	174.7	-171.8	58.4	0	0	0	110.9	Y210 S288 F292 C293 R294	Y210-D290 WeakPolarHBondContact CE1-OD1 3.29Å; S288-D290 PolarHBondContact O-N 3.03Å; S288-D290 PolarHBondContact OG-N 2.98Å; D290-F292 VanDerWaalsContact C-N 3.27Å; D290-F292 PolarHBondContact O-N 3.3Å; D290-C293 WeakPolarHBondContact O-CB 3.33Å; D290-C293 PolarHBondContact O-N 2.99Å; D290-C293 VanDerWaalsContact O-N 3.12Å; D290-R294 WeakPolarHBondContact O-CG 3.29Å; D290-R294 PolarHBondContact O-N 3.35Å; D290-R294 IonicContact OD1-NE 3.73Å; D290-R294 IonicContact OD1-NH2 3.67Å; D290-R294 IonicContact OD2-CZ 3.65Å; D290-R294 IonicContact OD2-NE 3.9Å; D290-R294 PolarHBondContact OD2-NE 3.1Å; D290-R294 IonicContact OD2-NH2 3.43Å; D290-R294 PolarHBondContact OD2-NH2 3.12Å
291	G	94.8	Very high	94.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58.4	-38.5	174.1	0	0	0	0	0	112.8	Y275 S288 R294 Y295	Y275-G291 WeakPolarHBondContact O-CA 3.32Å; S288-G291 PolarHBondContact O-N 3.37Å; S288-G291 PolarHBondContact OG-N 3.46Å; G291-R294 PolarHBondContact O-N 3.03Å; G291-Y295 PolarHBondContact O-N 3.03Å
292	F	96.1	Very high	94	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-67.2	-42.4	173.8	-173.6	-114.5	0	0	0	112.5	I222 L225 F226 I229 L237 F245 M287 S288 D290 R294 Y295 L296	I222-F292 HydrophobicContact CG2-CD1 3.88Å; I222-F292 HydrophobicContact CG2-CE1 4.26Å; L225-F292 HydrophobicContact CD2-CE1 4.02Å; L225-F292 HydrophobicContact CD2-CZ 4.13Å; L225-F292 HydrophobicContact CG-CE1 4.06Å; L225-F292 HydrophobicContact CG-CZ 4.27Å; F226-F292 HydrophobicContact CB-CD1 4.23Å; F226-F292 HydrophobicContact CB-CE1 4.47Å; F226-F292 HydrophobicContact CD2-CB 3.97Å; F226-F292 AromaticContact CD2-CD1 3.91Å; F226-F292 HydrophobicContact CD2-CD1 3.91Å; F226-F292 HydrophobicContact CD2-CG 4.05Å; F226-F292 HydrophobicContact CE2-CB 4.24Å; I229-F292 HydrophobicContact CD1-CE1 4.16Å; I229-F292 HydrophobicContact CD1-CE2 4.21Å; I229-F292 HydrophobicContact CD1-CZ 3.56Å; L237-F292 HydrophobicContact CD1-CD2 3.97Å; L237-F292 HydrophobicContact CD1-CE2 4.29Å; L237-F292 HydrophobicContact CD1-CG 4.29Å; F245-F292 AromaticContact CD1-CE2 3.92Å; F245-F292 HydrophobicContact CD1-CE2 3.92Å; F245-F292 HydrophobicContact CD1-CZ 4.37Å; F245-F292 AromaticContact CE1-CE2 3.59Å; F245-F292 HydrophobicContact CE1-CE2 3.59Å; F245-F292 AromaticContact CE1-CZ 3.83Å; F245-F292 HydrophobicContact CE1-CZ 3.83Å; F245-F292 HydrophobicContact CE2-CZ 4.11Å; F245-F292 AromaticContact CZ-CE2 3.97Å; F245-F292 HydrophobicContact CZ-CE2 3.97Å; F245-F292 AromaticContact CZ-CZ 3.7Å; F245-F292 HydrophobicContact CZ-CZ 3.7Å; M287-F292 HydrophobicContact CG-CB 4.09Å; M287-F292 VanDerWaalsContact SD-CA 3.55Å; M287-F292 HydrophobicContact SD-CB 3.81Å; M287-F292 HydrophobicContact SD-CD2 3.99Å; M287-F292 HydrophobicContact SD-CG 4.42Å; S288-F292 WeakPolarHBondContact O-CB 3.38Å; S288-F292 PolarHBondContact O-N 3.04Å; D290-F292 VanDerWaalsContact C-N 3.27Å; D290-F292 PolarHBondContact O-N 3.3Å; F292-R294 VanDerWaalsContact C-N 3.34Å; F292-R294 PolarHBondContact O-N 3.41Å; F292-Y295 PolarHBondContact O-N 2.99Å; F292-L296 HydrophobicContact CD1-CD1 4.03Å; F292-L296 HydrophobicContact CE1-CD1 3.59Å; F292-L296 HydrophobicContact CE1-CG 4.35Å; F292-L296 HydrophobicContact CZ-CD1 3.88Å; F292-L296 HydrophobicContact CZ-CD2 4.47Å; F292-L296 HydrophobicContact CZ-CG 4.28Å; F292-L296 WeakPolarHBondContact O-CG 3.4Å; F292-L296 PolarHBondContact O-N 3.13Å
293	C	95.3	Very high	94.1	Very high	4 Å²	4	27.9 Å²	27.9	3%	0.027	14%	0.138	C	C	.	.	H	α-helix	trans	-60.4	-42.9	173.2	-171.6	0	0	0	0	111.8	I222 S289 D290 L296 M297	I222-C293 HydrophobicContact CD1-CB 4.36Å; I222-C293 VanDerWaalsContact CD1-SG 3.59Å; I222-C293 HydrophobicContact CG2-CB 4.2Å; S289-C293 WeakPolarHBondContact O-CB 3.28Å; S289-C293 PolarHBondContact O-N 3.34Å; D290-C293 WeakPolarHBondContact O-CB 3.33Å; D290-C293 PolarHBondContact O-N 2.99Å; D290-C293 VanDerWaalsContact O-N 3.12Å; C293-L296 PolarHBondContact O-N 2.83Å; C293-M297 WeakPolarHBondContact O-CB 3.45Å; C293-M297 VanDerWaalsContact O-CG 3.28Å; C293-M297 WeakPolarHBondContact O-CG 3.23Å; C293-M297 PolarHBondContact O-N 3.5Å; C293-M297 VanDerWaalsContact O-N 3.13Å; C293-M297 VanDerWaalsContact SG-SD 3.64Å
294	R	95.1	Very high	94	Very high	29 Å²	29	21.2 Å²	21.2	11%	0.109	11%	0.109	C	C	.	.	H	α-helix	trans	-62.8	-43.5	176.9	-69.9	174.6	-166.4	-90.3	-1.6	111.9	M144 D207 Y210 Y275 D290 G291 F292 M297 S298	M144-R294 HydrophobicContact CE-CB 4.21Å; M144-R294 HydrophobicContact CE-CG 3.83Å; D207-R294 IonicContact OD1-NH1 2.72Å; Y210-R294 VanDerWaalsContact CE1-NH2 3.34Å; Y275-R294 HydrophobicContact CD1-CB 4.28Å; Y275-R294 WeakPolarHBondContact O-CD 3.28Å; D290-R294 WeakPolarHBondContact O-CG 3.29Å; D290-R294 PolarHBondContact O-N 3.35Å; D290-R294 IonicContact OD1-NE 3.73Å; D290-R294 IonicContact OD1-NH2 3.67Å; D290-R294 IonicContact OD2-CZ 3.65Å; D290-R294 IonicContact OD2-NE 3.9Å; D290-R294 PolarHBondContact OD2-NE 3.1Å; D290-R294 IonicContact OD2-NH2 3.43Å; D290-R294 PolarHBondContact OD2-NH2 3.12Å; G291-R294 PolarHBondContact O-N 3.03Å; F292-R294 VanDerWaalsContact C-N 3.34Å; F292-R294 PolarHBondContact O-N 3.41Å; R294-M297 PolarHBondContact O-N 2.8Å; R294-S298 PolarHBondContact O-N 3.35Å
295	Y	95.4	Very high	93.8	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.008	9%	0.09	C	C	.	.	H	α-helix	trans	-59	-50.6	173.5	168.3	-109	0	0	0	112	F245 L246 I271 Y275 G291 F292 M297 S298 E300 N301	F245-Y295 HydrophobicContact CE1-CE1 4.42Å; L246-Y295 HydrophobicContact CD2-CE1 3.93Å; L246-Y295 VanDerWaalsContact CD2-OH 3.27Å; L246-Y295 WeakPolarHBondContact CD2-OH 3.23Å; I271-Y295 HydrophobicContact CD1-CE2 4.32Å; I271-Y295 HydrophobicContact CG2-CD2 3.55Å; I271-Y295 HydrophobicContact CG2-CE2 4.07Å; I271-Y295 HydrophobicContact CG2-CG 3.91Å; Y275-Y295 HydrophobicContact CD2-CD2 4.06Å; Y275-Y295 AromaticContact CE2-CD2 3.99Å; Y275-Y295 HydrophobicContact CE2-CD2 3.99Å; G291-Y295 PolarHBondContact O-N 3.03Å; F292-Y295 PolarHBondContact O-N 2.99Å; Y295-M297 PolarHBondContact O-N 2.83Å; Y295-M297 VanDerWaalsContact O-N 3.15Å; Y295-S298 WeakPolarHBondContact O-CB 3.35Å; Y295-S298 PolarHBondContact O-N 2.93Å; Y295-S298 VanDerWaalsContact O-N 3.08Å; Y295-S298 PolarHBondContact O-OG 3.48Å; Y295-E300 HydrophobicContact CE2-CB 4.31Å; Y295-N301 HydrophobicContact CE2-CB 4.42Å; Y295-N301 WeakPolarHBondContact O-CB 3.36Å
296	L	96.1	Very high	93.5	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.01	9%	0.087	C	C	.	.	H	α-helix	trans	-62.7	-22.7	-179	-71.6	179	0	0	0	113.8	I222 L225 F245 F292 C293 N301 H844 F861	I222-L296 HydrophobicContact CD1-CD1 4.29Å; I222-L296 HydrophobicContact CG1-CD1 4.27Å; I222-L296 HydrophobicContact CG2-CD1 4.15Å; L225-L296 HydrophobicContact CD2-CD1 4.17Å; F245-L296 HydrophobicContact CE1-CD2 4.42Å; F245-L296 HydrophobicContact CZ-CD2 4.21Å; F292-L296 HydrophobicContact CD1-CD1 4.03Å; F292-L296 HydrophobicContact CE1-CD1 3.59Å; F292-L296 HydrophobicContact CE1-CG 4.35Å; F292-L296 HydrophobicContact CZ-CD1 3.88Å; F292-L296 HydrophobicContact CZ-CD2 4.47Å; F292-L296 HydrophobicContact CZ-CG 4.28Å; F292-L296 WeakPolarHBondContact O-CG 3.4Å; F292-L296 PolarHBondContact O-N 3.13Å; C293-L296 PolarHBondContact O-N 2.83Å; L296-N301 PolarHBondContact O-ND2 2.89Å; L296-H844 PolarHBondContact O-ND1 2.9Å; L296-F861 HydrophobicContact CD1-CE2 4.48Å; L296-F861 HydrophobicContact CD1-CZ 4.37Å
297	M	94.9	Very high	93	Very high	15 Å²	15	15.7 Å²	15.7	7%	0.074	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	10.3	178.7	-66.9	178.5	69.3	0	0	113.9	C142 P143 M144 L147 C293 R294 Y295	C142-M297 VanDerWaalsContact CB-O 3.3Å; C142-M297 WeakPolarHBondContact CB-O 3.37Å; C142-M297 PolarHBondContact SG-O 2.93Å; C142-M297 VanDerWaalsContact SG-O 3.4Å; P143-M297 HydrophobicContact CB-CB 4.29Å; P143-M297 HydrophobicContact CB-CE 3.95Å; P143-M297 HydrophobicContact CB-CG 4.49Å; P143-M297 WeakPolarHBondContact CD-O 3.38Å; M144-M297 HydrophobicContact CB-CB 4.38Å; M144-M297 WeakPolarHBondContact CB-O 3.48Å; M144-M297 HydrophobicContact CE-CB 4.1Å; M144-M297 HydrophobicContact CE-CE 4.47Å; M144-M297 HydrophobicContact CE-SD 4.3Å; M144-M297 PolarHBondContact N-O 3.16Å; M144-M297 VanDerWaalsContact N-O 3.09Å; L147-M297 HydrophobicContact CD1-CE 3.57Å; C293-M297 WeakPolarHBondContact O-CB 3.45Å; C293-M297 VanDerWaalsContact O-CG 3.28Å; C293-M297 WeakPolarHBondContact O-CG 3.23Å; C293-M297 PolarHBondContact O-N 3.5Å; C293-M297 VanDerWaalsContact O-N 3.13Å; C293-M297 VanDerWaalsContact SG-SD 3.64Å; R294-M297 PolarHBondContact O-N 2.8Å; Y295-M297 PolarHBondContact O-N 2.83Å; Y295-M297 VanDerWaalsContact O-N 3.15Å
298	S	93.9	Very high	92.7	Very high	6 Å²	6	18.7 Å²	18.7	4%	0.042	10%	0.099	C	C	.	.	S	Bend	trans	-102.4	164.3	-175.7	76.2	0	0	0	0	114.3	Y275 R294 Y295 E300 N301	Y275-S298 WeakPolarHBondContact OH-CB 3.44Å; Y275-S298 PolarHBondContact OH-OG 3.34Å; R294-S298 PolarHBondContact O-N 3.35Å; Y295-S298 WeakPolarHBondContact O-CB 3.35Å; Y295-S298 PolarHBondContact O-N 2.93Å; Y295-S298 VanDerWaalsContact O-N 3.08Å; Y295-S298 PolarHBondContact O-OG 3.48Å; S298-E300 PolarHBondContact O-N 2.79Å; S298-N301 PolarHBondContact O-N 2.82Å
299	D	90.6	Very high	92.4	Very high	34 Å²	34	18.2 Å²	18.2	18%	0.182	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-63.3	-25.6	179.2	-47	-82.9	0	0	0	112.5	F7 C142 N301 A302 L306	F7-D299 HydrophobicContact CB-CB 4.11Å; F7-D299 HydrophobicContact CD1-CB 4.45Å; C142-D299 HydrophobicContact CB-CB 4.32Å; C142-D299 VanDerWaalsContact CB-N 3.3Å; C142-D299 VanDerWaalsContact CB-OD1 3.22Å; C142-D299 WeakPolarHBondContact CB-OD1 3.28Å; C142-D299 PolarHBondContact N-OD1 2.95Å; C142-D299 PolarHBondContact SG-OD1 3.05Å; C142-D299 VanDerWaalsContact SG-OD1 3.41Å; C142-D299 PolarHBondContact SG-OD2 2.71Å; D299-N301 PolarHBondContact O-N 2.99Å; D299-A302 WeakPolarHBondContact O-CB 3.35Å; D299-A302 PolarHBondContact O-N 2.77Å; D299-L306 HydrophobicContact CB-CD1 4.1Å
300	E	89.4	Confident	92.1	Very high	12 Å²	12	20.1 Å²	20.1	6%	0.056	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-67.7	-15.8	174.2	-67.5	-169.9	-146.1	0	0	113.5	R267 K274 Y275 Y295 S298	R267-E300 IonicContact CZ-OE2 2.85Å; R267-E300 IonicContact NH1-OE2 2.79Å; R267-E300 PolarHBondContact NH1-OE2 3.3Å; R267-E300 IonicContact NH2-OE2 3.2Å; R267-E300 PolarHBondContact NH2-OE2 3.23Å; K274-E300 WeakPolarHBondContact CD-OE1 3.36Å; K274-E300 WeakPolarHBondContact CE-OE1 3.46Å; K274-E300 IonicContact NZ-OE1 2.74Å; K274-E300 PolarHBondContact NZ-OE1 2.83Å; Y275-E300 PolarHBondContact OH-OE1 2.85Å; Y295-E300 HydrophobicContact CE2-CB 4.31Å; S298-E300 PolarHBondContact O-N 2.79Å
301	N	93.6	Very high	92	Very high	2 Å²	2	22 Å²	22	1%	0.011	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-111.8	17	177	-162.6	57.8	0	0	0	113.3	Q250 Y295 L296 S298 D299 Y842 R843	Q250-N301 PolarHBondContact NE2-OD1 3.19Å; Y295-N301 HydrophobicContact CE2-CB 4.42Å; Y295-N301 WeakPolarHBondContact O-CB 3.36Å; L296-N301 PolarHBondContact O-ND2 2.89Å; S298-N301 PolarHBondContact O-N 2.82Å; D299-N301 PolarHBondContact O-N 2.99Å; N301-Y842 PolarHBondContact ND2-O 2.97Å; N301-R843 VanDerWaalsContact C-NH1 3.28Å; N301-R843 WeakPolarHBondContact O-CD 3.44Å; N301-R843 PolarHBondContact O-NH1 2.93Å; N301-R843 VanDerWaalsContact O-NH1 3.12Å
302	A	92.8	Very high	91.9	Very high	12 Å²	12	25.3 Å²	25.3	10%	0.099	12%	0.123	C	C	.	.			trans	-52.5	149.5	177.8	0	0	0	0	0	113.7	D299 V304 L306 Q839 R843	D299-A302 WeakPolarHBondContact O-CB 3.35Å; D299-A302 PolarHBondContact O-N 2.77Å; A302-V304 VanDerWaalsContact C-N 3.35Å; A302-V304 PolarHBondContact O-N 3.11Å; A302-L306 HydrophobicContact CB-CD1 3.82Å; A302-L306 HydrophobicContact CB-CD2 3.94Å; A302-L306 HydrophobicContact CB-CG 3.83Å; A302-Q839 PolarHBondContact O-NE2 2.89Å; A302-Q839 VanDerWaalsContact O-NE2 3.09Å; A302-R843 PolarHBondContact O-NH1 3.24Å
303	P	93.4	Very high	91.9	Very high	22 Å²	22	27.1 Å²	27.1	14%	0.143	13%	0.131	C	C	.	.	S	Bend	trans	-73.9	-21.7	-175.2	28.6	-35.2	0	0	0	114.6	L833 Q839 R843 I845	P303-L833 HydrophobicContact CB-CD1 4.46Å; P303-L833 HydrophobicContact CG-CD2 4.35Å; P303-Q839 PolarHBondContact O-N 3.18Å; P303-R843 HydrophobicContact CB-CB 4.2Å; P303-R843 HydrophobicContact CB-CG 4.42Å; P303-I845 HydrophobicContact CB-CD1 3.52Å; P303-I845 HydrophobicContact CG-CD1 3.98Å
304	V	91.4	Very high	91.9	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.024	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-120.5	162.2	172.6	-72.1	0	0	0	0	109.1	A302 L306 Y713 L833 G837 L838 Q839	A302-V304 VanDerWaalsContact C-N 3.35Å; A302-V304 PolarHBondContact O-N 3.11Å; V304-L306 PolarHBondContact O-N 3.01Å; V304-Y713 HydrophobicContact CG1-CE1 4.49Å; V304-Y713 HydrophobicContact CG2-CE1 4.25Å; V304-L833 HydrophobicContact CG1-CB 4.45Å; V304-L833 HydrophobicContact CG1-CD2 4.01Å; V304-G837 CarbonylContact C-O 3.55Å; V304-G837 VanDerWaalsContact CA-O 3.27Å; V304-G837 WeakPolarHBondContact CA-O 3.42Å; V304-L838 HydrophobicContact CG1-CD1 4.2Å; V304-Q839 PolarHBondContact O-NE2 3.4Å
305	F	89	Confident	92.1	Very high	14 Å²	14	29 Å²	29	6%	0.061	14%	0.143	C	C	.	.			trans	-69.6	126.8	165.8	-60.6	-83.3	0	0	0	109.4	M1 L255 F260 D307 R308 G837 Q839	M1-F305 HydrophobicContact CE-CD1 4.17Å; M1-F305 HydrophobicContact CG-CD1 3.98Å; M1-F305 HydrophobicContact CG-CE1 3.96Å; M1-F305 HydrophobicContact SD-CD1 4.15Å; L255-F305 HydrophobicContact CD1-CZ 3.84Å; L255-F305 HydrophobicContact CD2-CZ 4.47Å; F260-F305 HydrophobicContact CE1-CE1 4.25Å; F260-F305 HydrophobicContact CE1-CZ 4.28Å; F305-D307 VanDerWaalsContact C-N 3.27Å; F305-D307 WeakPolarHBondContact CB-OD1 3.35Å; F305-D307 PolarHBondContact O-N 2.97Å; F305-R308 HydrophobicContact CB-CG 4.22Å; F305-R308 WeakPolarHBondContact O-CB 3.32Å; F305-R308 PolarHBondContact O-N 3.49Å; F305-G837 WeakPolarHBondContact CD2-O 3.43Å; F305-G837 PolarHBondContact N-O 3.47Å; F305-Q839 HydrophobicContact CD1-CG 4.25Å; F305-Q839 HydrophobicContact CD2-CG 4.09Å; F305-Q839 HydrophobicContact CE1-CG 4.1Å; F305-Q839 HydrophobicContact CE2-CG 3.95Å; F305-Q839 HydrophobicContact CG-CG 4.24Å; F305-Q839 HydrophobicContact CZ-CG 3.95Å
306	L	88	Confident	92.2	Very high	6 Å²	6	33.9 Å²	33.9	3%	0.031	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-76.2	-15.2	-171.4	-65.8	168.8	0	0	0	113.3	Y5 F7 D299 A302 V304 R308 L309	Y5-L306 HydrophobicContact CE1-CB 3.87Å; Y5-L306 HydrophobicContact CE1-CD1 4.17Å; F7-L306 HydrophobicContact CB-CD1 3.92Å; F7-L306 HydrophobicContact CD1-CD1 3.84Å; F7-L306 HydrophobicContact CD2-CB 3.79Å; F7-L306 HydrophobicContact CD2-CD1 3.96Å; F7-L306 HydrophobicContact CD2-CG 4.39Å; F7-L306 HydrophobicContact CE1-CD1 4.3Å; F7-L306 HydrophobicContact CE1-CD2 4.42Å; F7-L306 HydrophobicContact CE2-CB 3.85Å; F7-L306 HydrophobicContact CE2-CD1 4.41Å; F7-L306 HydrophobicContact CE2-CD2 4.48Å; F7-L306 HydrophobicContact CE2-CG 4.47Å; F7-L306 HydrophobicContact CG-CB 4.37Å; F7-L306 HydrophobicContact CG-CD1 3.65Å; F7-L306 HydrophobicContact CZ-CB 4.46Å; F7-L306 HydrophobicContact CZ-CD2 4.27Å; D299-L306 HydrophobicContact CB-CD1 4.1Å; A302-L306 HydrophobicContact CB-CD1 3.82Å; A302-L306 HydrophobicContact CB-CD2 3.94Å; A302-L306 HydrophobicContact CB-CG 3.83Å; V304-L306 PolarHBondContact O-N 3.01Å; L306-R308 PolarHBondContact O-N 3.27Å; L306-L309 HydrophobicContact CD2-CD1 3.74Å; L306-L309 WeakPolarHBondContact O-CB 3.25Å; L306-L309 PolarHBondContact O-N 2.62Å
307	D	85.6	Confident	92.3	Very high	61 Å²	61	36 Å²	36	33%	0.326	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-63.7	-26.2	168.5	58.2	-0.1	0	0	0	112.6	F305 L309 E310	F305-D307 VanDerWaalsContact C-N 3.27Å; F305-D307 WeakPolarHBondContact CB-OD1 3.35Å; F305-D307 PolarHBondContact O-N 2.97Å; D307-L309 PolarHBondContact O-N 3.03Å; D307-E310 WeakPolarHBondContact O-CB 3.21Å; D307-E310 PolarHBondContact O-N 3.18Å
308	R	88.9	Confident	92.4	Very high	65 Å²	65	36.8 Å²	36.8	25%	0.245	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-71.5	-10.7	176.9	-50.9	-51.1	179.7	141.4	12.7	114.2	F305 L306 E310 Y312 Y713 N714	F305-R308 HydrophobicContact CB-CG 4.22Å; F305-R308 WeakPolarHBondContact O-CB 3.32Å; F305-R308 PolarHBondContact O-N 3.49Å; L306-R308 PolarHBondContact O-N 3.27Å; R308-E310 VanDerWaalsContact C-N 3.35Å; R308-Y312 HydrophobicContact CB-CD1 4.19Å; R308-Y312 HydrophobicContact CB-CE1 3.82Å; R308-Y312 HydrophobicContact CG-CE1 4.37Å; R308-Y312 WeakPolarHBondContact O-CE1 3.44Å; R308-Y713 HydrophobicContact CB-CD1 4.14Å; R308-N714 PolarHBondContact O-N 2.83Å
309	L	88.6	Confident	92.6	Very high	9 Å²	9	36.5 Å²	36.5	5%	0.047	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-82.8	-15.4	169.7	-58	171.4	0	0	0	111.9	F7 N140 L306 D307 Y713 G715	F7-L309 HydrophobicContact CZ-CD1 4.24Å; N140-L309 HydrophobicContact CB-CD1 3.48Å; N140-L309 VanDerWaalsContact CB-CD1 3.48Å; L306-L309 HydrophobicContact CD2-CD1 3.74Å; L306-L309 WeakPolarHBondContact O-CB 3.25Å; L306-L309 PolarHBondContact O-N 2.62Å; D307-L309 PolarHBondContact O-N 3.03Å; L309-Y713 HydrophobicContact CD2-CD1 4.03Å; L309-Y713 HydrophobicContact CD2-CE1 3.96Å; L309-G715 WeakPolarHBondContact O-CA 3.49Å; L309-G715 PolarHBondContact O-N 3.3Å; L309-G715 VanDerWaalsContact O-N 3.12Å
310	E	88.8	Confident	92.9	Very high	74 Å²	74	34.9 Å²	34.9	35%	0.346	18%	0.175	S	C	.	.	S	Bend	trans	-89.5	170.3	173.9	-46.6	-161	-152	0	0	110	K137 D307 R308 Y312 N714 G715	K137-E310 WeakPolarHBondContact CE-OE1 3.22Å; K137-E310 WeakPolarHBondContact CE-OE2 3.41Å; K137-E310 IonicContact NZ-OE1 2.75Å; K137-E310 PolarHBondContact NZ-OE1 3.02Å; K137-E310 IonicContact NZ-OE2 3.93Å; K137-E310 PolarHBondContact NZ-OE2 3.29Å; D307-E310 WeakPolarHBondContact O-CB 3.21Å; D307-E310 PolarHBondContact O-N 3.18Å; R308-E310 VanDerWaalsContact C-N 3.35Å; E310-Y312 WeakPolarHBondContact O-CD1 3.41Å; E310-Y312 PolarHBondContact O-N 3.41Å; E310-N714 CarbonylContact O-C 3.27Å; E310-N714 VanDerWaalsContact O-C 3.31Å; E310-N714 VanDerWaalsContact O-CA 3.23Å; E310-N714 WeakPolarHBondContact O-CA 3.47Å; E310-G715 PolarHBondContact O-N 3.19Å; E310-G715 VanDerWaalsContact O-N 3.14Å
311	L	90.9	Very high	93.3	Very high	88 Å²	88	35.6 Å²	35.6	46%	0.461	18%	0.178	S	C	.	.	S	Bend	trans	-71.8	108.7	172.9	-174.6	77.6	0	0	0	108.6	M315 Y402 C717	L311-M315 HydrophobicContact CD1-CG 4.03Å; L311-M315 HydrophobicContact CD1-SD 4.17Å; L311-M315 HydrophobicContact CG-CG 4.48Å; L311-Y402 HydrophobicContact CD1-CE2 3.93Å; L311-Y402 HydrophobicContact CD2-CE2 4.14Å; L311-Y402 WeakPolarHBondContact CD2-OH 3.45Å; L311-C717 HydrophobicContact CD1-CB 4.3Å
312	Y	92.1	Very high	93.6	Very high	71 Å²	71	35.5 Å²	35.5	28%	0.278	18%	0.178	S	C	.	.			trans	-130.1	-17.3	-172	79.8	-92.8	0	0	0	114.3	R308 E310 N714 D836	R308-Y312 HydrophobicContact CB-CD1 4.19Å; R308-Y312 HydrophobicContact CB-CE1 3.82Å; R308-Y312 HydrophobicContact CG-CE1 4.37Å; R308-Y312 WeakPolarHBondContact O-CE1 3.44Å; E310-Y312 WeakPolarHBondContact O-CD1 3.41Å; E310-Y312 PolarHBondContact O-N 3.41Å; Y312-N714 HydrophobicContact CD1-CB 4.47Å; Y312-N714 HydrophobicContact CE1-CB 4.25Å; Y312-N714 PolarHBondContact N-OD1 3.07Å; Y312-D836 PolarHBondContact OH-OD2 3.05Å
313	Q	95.1	Very high	93.8	Very high	38 Å²	38	35.1 Å²	35.1	18%	0.178	17%	0.174	C	C	.	.	S	Bend	trans	-81.4	158.3	-179.4	-62.4	-175.9	-22.4	0	0	111	M315 N714 L721	Q313-M315 WeakPolarHBondContact O-CG 3.44Å; Q313-M315 PolarHBondContact O-N 3.1Å; Q313-N714 HydrophobicContact CG-CB 4.39Å; Q313-N714 PolarHBondContact N-OD1 3Å; Q313-L721 HydrophobicContact CB-CB 4.27Å
314	D	97	Very high	94.1	Very high	67 Å²	67	34.1 Å²	34.1	36%	0.358	17%	0.167	S	C	.	.			trans	-63.1	126.8	168.5	173.6	2.6	0	0	0	109.3	D316 Q317 Y322 L721	D314-D316 PolarHBondContact OD1-N 2.93Å; D314-Q317 WeakPolarHBondContact OD2-CG 3.33Å; D314-Q317 PolarHBondContact OD2-NE2 2.84Å; D314-Y322 WeakPolarHBondContact O-CE1 3.36Å; D314-Y322 PolarHBondContact O-OH 2.89Å; D314-L721 HydrophobicContact CB-CD2 4.04Å
315	M	97.9	Very high	94.4	Very high	6 Å²	6	34.1 Å²	34.1	3%	0.03	17%	0.167	C	C	.	.			trans	-114.9	8.8	-177	-59.7	-54.9	-60.4	0	0	112.8	L311 Q313 Y322 Y402 P451 N452 Y719	L311-M315 HydrophobicContact CD1-CG 4.03Å; L311-M315 HydrophobicContact CD1-SD 4.17Å; L311-M315 HydrophobicContact CG-CG 4.48Å; Q313-M315 WeakPolarHBondContact O-CG 3.44Å; Q313-M315 PolarHBondContact O-N 3.1Å; M315-Y322 VanDerWaalsContact C-OH 3.32Å; M315-Y322 WeakPolarHBondContact CA-OH 3.29Å; M315-Y322 HydrophobicContact CE-CE1 4.11Å; M315-Y322 HydrophobicContact SD-CE1 3.93Å; M315-Y402 HydrophobicContact CB-CE1 4.01Å; M315-Y402 HydrophobicContact CE-CD1 3.9Å; M315-Y402 HydrophobicContact CE-CD2 4.42Å; M315-Y402 HydrophobicContact CE-CE1 3.63Å; M315-Y402 HydrophobicContact CE-CE2 4.18Å; M315-Y402 HydrophobicContact CE-CG 4.28Å; M315-Y402 HydrophobicContact CG-CE1 4.27Å; M315-P451 HydrophobicContact CE-CB 3.87Å; M315-P451 HydrophobicContact CE-CG 4.21Å; M315-P451 WeakPolarHBondContact O-CD 3.46Å; M315-N452 WeakPolarHBondContact CB-OD1 3.37Å; M315-N452 WeakPolarHBondContact O-CB 3.4Å; M315-N452 PolarHBondContact O-N 3.45Å; M315-N452 VanDerWaalsContact O-N 3.11Å; M315-Y719 HydrophobicContact CE-CG 4.45Å
316	D	97.7	Very high	94.9	Very high	104 Å²	104	33.4 Å²	33.4	56%	0.556	16%	0.164	S	C	*	.			trans	-104.4	5.8	-177.5	-62.7	-71	0	0	0	112.7	D314 S450 N452	D314-D316 PolarHBondContact OD1-N 2.93Å; D316-S450 VanDerWaalsContact C-CB 3.44Å; D316-S450 WeakPolarHBondContact O-CB 2.79Å; D316-N452 WeakPolarHBondContact OD1-CB 3.32Å; D316-N452 PolarHBondContact OD1-ND2 2.91Å; D316-N452 PolarHBondContact OD2-ND2 2.93Å
317	Q	97.9	Very high	95.4	Very high	46 Å²	46	33.1 Å²	33.1	22%	0.215	16%	0.163	C	C	.	.	S	Bend	trans	-78.7	157.4	173	-57.6	-75.7	-46.5	0	0	111.1	D314 H321 Y322 S450 P451 L721 R727	D314-Q317 WeakPolarHBondContact OD2-CG 3.33Å; D314-Q317 PolarHBondContact OD2-NE2 2.84Å; Q317-H321 HydrophobicContact CB-CB 3.93Å; Q317-H321 PolarHBondContact OE1-ND1 3.07Å; Q317-H321 VanDerWaalsContact OE1-ND1 3.07Å; Q317-Y322 HydrophobicContact CB-CE2 3.77Å; Q317-Y322 WeakPolarHBondContact CB-OH 3.47Å; Q317-Y322 PolarHBondContact N-OH 3.18Å; Q317-Y322 WeakPolarHBondContact O-CE2 3.16Å; Q317-S450 WeakPolarHBondContact O-CA 3.45Å; Q317-S450 WeakPolarHBondContact O-CB 3.31Å; Q317-P451 WeakPolarHBondContact O-CD 3.48Å; Q317-L721 HydrophobicContact CB-CD1 4.18Å; Q317-L721 HydrophobicContact CG-CD1 3.85Å; Q317-R727 VanDerWaalsContact CD-NH1 3.32Å
318	P	97.6	Very high	96	Very high	31 Å²	31	31 Å²	31	20%	0.201	15%	0.151	C	C	.	.			trans	-53.8	145.7	172.2	-29.9	37	0	0	0	114	A320 H321 P447 L448	P318-A320 PolarHBondContact O-N 3.14Å; P318-H321 VanDerWaalsContact O-CB 3.26Å; P318-H321 WeakPolarHBondContact O-CB 3.32Å; P318-H321 PolarHBondContact O-N 3.37Å; P318-P447 HydrophobicContact CB-CB 4.38Å; P318-P447 HydrophobicContact CG-CB 3.97Å; P318-L448 WeakPolarHBondContact CA-O 3.24Å; P318-L448 HydrophobicContact CB-CB 4.38Å; P318-L448 VanDerWaalsContact CB-O 3.31Å; P318-L448 WeakPolarHBondContact CB-O 3.47Å
319	L	97.7	Very high	96.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-48.8	-36.3	179.2	-89.9	173	0	0	0	114.8	H321 Y322 L448 P449 P451 L454 L459 M665 Y719	L319-H321 PolarHBondContact O-N 2.79Å; L319-H321 VanDerWaalsContact O-N 3.11Å; L319-Y322 PolarHBondContact O-N 3.39Å; L319-L448 HydrophobicContact CB-CB 4.05Å; L319-L448 HydrophobicContact CB-CD1 3.96Å; L319-P449 PolarHBondContact N-O 2.89Å; L319-P451 HydrophobicContact CD2-CG 4.22Å; L319-L454 HydrophobicContact CD1-CD1 3.49Å; L319-L454 VanDerWaalsContact CD1-CD1 3.49Å; L319-L454 HydrophobicContact CG-CD1 4.21Å; L319-L459 HydrophobicContact CD1-CD2 4.5Å; L319-M665 HydrophobicContact CB-SD 4.2Å; L319-Y719 HydrophobicContact CD2-CE1 3.65Å
320	A	97.7	Very high	96.8	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.008	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-62	-17.1	177.7	0	0	0	0	0	113.9	P318 Y322 L448 Q691 K722	P318-A320 PolarHBondContact O-N 3.14Å; A320-Y322 VanDerWaalsContact C-N 3.34Å; A320-L448 HydrophobicContact CB-CD1 3.91Å; A320-Q691 PolarHBondContact O-NE2 3.07Å; A320-K722 WeakPolarHBondContact O-CE 3.39Å; A320-K722 PolarHBondContact O-NZ 2.74Å
321	H	98.3	Very high	97.2	Very high	26 Å²	26	24.4 Å²	24.4	12%	0.12	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-81.9	-1.2	179.3	-72.7	-176.7	0	0	0	114.7	Q317 P318 L319 L721 K722 R727	Q317-H321 HydrophobicContact CB-CB 3.93Å; Q317-H321 PolarHBondContact OE1-ND1 3.07Å; Q317-H321 VanDerWaalsContact OE1-ND1 3.07Å; P318-H321 VanDerWaalsContact O-CB 3.26Å; P318-H321 WeakPolarHBondContact O-CB 3.32Å; P318-H321 PolarHBondContact O-N 3.37Å; L319-H321 PolarHBondContact O-N 2.79Å; L319-H321 VanDerWaalsContact O-N 3.11Å; H321-L721 HydrophobicContact CB-CD1 4.22Å; H321-K722 VanDerWaalsContact O-CB 3.27Å; H321-K722 WeakPolarHBondContact O-CB 3.45Å; H321-K722 VanDerWaalsContact O-CG 3.3Å; H321-K722 WeakPolarHBondContact O-CG 3.46Å; H321-K722 PolarHBondContact O-N 2.93Å; H321-R727 HydrophobicContact CB-CG 3.98Å
322	Y	98.6	Very high	97.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	147.6	-177.8	-60.7	-95.5	0	0	0	113.1	D314 M315 Q317 L319 A320 P451 Q691 Y719 L720 L721	D314-Y322 WeakPolarHBondContact O-CE1 3.36Å; D314-Y322 PolarHBondContact O-OH 2.89Å; M315-Y322 VanDerWaalsContact C-OH 3.32Å; M315-Y322 WeakPolarHBondContact CA-OH 3.29Å; M315-Y322 HydrophobicContact CE-CE1 4.11Å; M315-Y322 HydrophobicContact SD-CE1 3.93Å; Q317-Y322 HydrophobicContact CB-CE2 3.77Å; Q317-Y322 WeakPolarHBondContact CB-OH 3.47Å; Q317-Y322 PolarHBondContact N-OH 3.18Å; Q317-Y322 WeakPolarHBondContact O-CE2 3.16Å; L319-Y322 PolarHBondContact O-N 3.39Å; A320-Y322 VanDerWaalsContact C-N 3.34Å; Y322-P451 HydrophobicContact CD1-CG 4.49Å; Y322-P451 HydrophobicContact CD2-CG 3.72Å; Y322-P451 HydrophobicContact CE1-CG 4.31Å; Y322-P451 HydrophobicContact CE2-CG 3.49Å; Y322-P451 VanDerWaalsContact CE2-CG 3.49Å; Y322-P451 HydrophobicContact CG-CG 4.25Å; Y322-Q691 VanDerWaalsContact O-CB 3.22Å; Y322-Q691 WeakPolarHBondContact O-CB 3.22Å; Y322-Q691 WeakPolarHBondContact O-CG 3.48Å; Y322-Y719 HydrophobicContact CD1-CD1 4.5Å; Y322-Y719 HydrophobicContact CG-CD1 4.13Å; Y322-L720 CarbonylContact C-O 3.57Å; Y322-L720 VanDerWaalsContact CA-O 3.29Å; Y322-L720 WeakPolarHBondContact CA-O 3.3Å; Y322-L721 HydrophobicContact CD1-CB 4.13Å; Y322-L721 HydrophobicContact CD1-CD1 4.31Å; Y322-L721 HydrophobicContact CE1-CB 3.88Å; Y322-L721 HydrophobicContact CE1-CD1 3.81Å; Y322-L721 HydrophobicContact CE1-CG 4.43Å; Y322-L721 HydrophobicContact CE2-CD1 4.36Å
323	F	98.6	Very high	97.5	Very high	5 Å²	5	18.6 Å²	18.6	2%	0.022	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	137	154	-56.8	-57.1	0	0	0	108.9	W686 C690 F711 Y719 L720 K722 M726 L813	F323-W686 HydrophobicContact CD1-CB 4.22Å; F323-W686 AromaticContact CD1-CD1 3.44Å; F323-W686 VanDerWaalsContact CD1-CD1 3.44Å; F323-W686 HydrophobicContact CD1-CG 4.02Å; F323-W686 HydrophobicContact CE1-CB 3.69Å; F323-W686 AromaticContact CE1-CD1 3.8Å; F323-W686 HydrophobicContact CE1-CG 4.01Å; F323-W686 WeakPolarHBondContact CE1-O 3.08Å; F323-W686 AromaticContact CG-CD1 3.98Å; F323-W686 HydrophobicContact CG-CG 4.45Å; F323-W686 HydrophobicContact CZ-CB 3.85Å; F323-W686 HydrophobicContact CZ-CG 4.41Å; F323-W686 WeakPolarHBondContact CZ-O 3.4Å; F323-C690 WeakPolarHBondContact CD1-O 3.42Å; F323-F711 HydrophobicContact CB-CZ 4.07Å; F323-Y719 WeakPolarHBondContact O-CA 3.5Å; F323-L720 HydrophobicContact CB-CB 4.42Å; F323-L720 PolarHBondContact N-O 2.93Å; F323-L720 PolarHBondContact O-N 3.47Å; F323-K722 HydrophobicContact CD1-CD 3.97Å; F323-K722 HydrophobicContact CD1-CG 3.95Å; F323-K722 HydrophobicContact CD2-CG 3.95Å; F323-K722 HydrophobicContact CE1-CD 3.6Å; F323-K722 HydrophobicContact CE1-CG 3.75Å; F323-K722 HydrophobicContact CE2-CB 4.47Å; F323-K722 HydrophobicContact CE2-CD 4.49Å; F323-K722 HydrophobicContact CE2-CG 3.75Å; F323-K722 HydrophobicContact CG-CG 4.06Å; F323-K722 HydrophobicContact CZ-CB 4.49Å; F323-K722 HydrophobicContact CZ-CD 3.9Å; F323-K722 HydrophobicContact CZ-CG 3.65Å; F323-M726 HydrophobicContact CZ-SD 4.5Å; F323-L813 HydrophobicContact CE2-CD1 3.68Å; F323-L813 HydrophobicContact CZ-CD1 3.72Å
324	I	98.7	Very high	97.4	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	121.2	-172.8	-53	179.9	0	0	0	108.4	S326 R355 I405 M665 Q691 M692 Y719	I324-S326 PolarHBondContact O-N 3.26Å; I324-S326 VanDerWaalsContact O-N 3.16Å; I324-S326 PolarHBondContact O-OG 2.97Å; I324-R355 HydrophobicContact CG2-CB 3.8Å; I324-I405 HydrophobicContact CD1-CD1 4.36Å; I324-M665 HydrophobicContact CD1-SD 4.47Å; I324-Q691 HydrophobicContact CD1-CB 4.15Å; I324-Q691 HydrophobicContact CG1-CB 4.2Å; I324-Q691 PolarHBondContact N-O 2.6Å; I324-M692 HydrophobicContact CB-CG 4.24Å; I324-M692 HydrophobicContact CD1-CG 4.27Å; I324-M692 HydrophobicContact CG2-CG 4.49Å; I324-Y719 HydrophobicContact CB-CE1 4.38Å; I324-Y719 HydrophobicContact CD1-CD1 4.49Å; I324-Y719 HydrophobicContact CD1-CE1 3.72Å; I324-Y719 HydrophobicContact CG1-CD1 3.94Å; I324-Y719 HydrophobicContact CG1-CE1 3.6Å; I324-Y719 HydrophobicContact CG2-CE1 4.07Å
325	S	98.5	Very high	97	Very high	3 Å²	3	21.8 Å²	21.8	2%	0.021	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	118.7	176.6	-174	0	0	0	0	109.2	C354 R355 C356 F711 G718	S325-C354 PolarHBondContact O-SG 2.92Å; S325-R355 PolarHBondContact O-N 2.84Å; S325-C356 PolarHBondContact O-N 3.06Å; S325-C356 VanDerWaalsContact O-N 3.09Å; S325-F711 VanDerWaalsContact N-CZ 3.28Å; S325-G718 PolarHBondContact N-O 3.41Å
326	S	98.7	Very high	96.4	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	136.7	-163.6	-59.8	0	0	0	0	112.3	I324 C356 M692 S694 L695 F697	I324-S326 PolarHBondContact O-N 3.26Å; I324-S326 VanDerWaalsContact O-N 3.16Å; I324-S326 PolarHBondContact O-OG 2.97Å; S326-C356 WeakPolarHBondContact OG-CB 3.35Å; S326-M692 VanDerWaalsContact OG-CA 3.31Å; S326-M692 WeakPolarHBondContact OG-CA 3.43Å; S326-S694 WeakPolarHBondContact CB-OG 3.37Å; S326-S694 WeakPolarHBondContact O-CA 3.27Å; S326-L695 PolarHBondContact O-N 2.84Å; S326-L695 VanDerWaalsContact O-N 3.15Å; S326-F697 WeakPolarHBondContact O-CE2 3.46Å
327	S	98.6	Very high	95.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	158.9	179.2	-178.9	0	0	0	0	111.5	T330 C356 R667 S694 L695	S327-T330 WeakPolarHBondContact CB-OG1 3.28Å; S327-T330 PolarHBondContact OG-OG1 2.99Å; S327-C356 PolarHBondContact N-O 2.94Å; S327-R667 PolarHBondContact O-NH2 3.34Å; S327-S694 VanDerWaalsContact O-CB 3.22Å; S327-S694 WeakPolarHBondContact O-CB 3.4Å; S327-S694 PolarHBondContact O-OG 3.35Å; S327-L695 CarbonylContact C-O 3.58Å; S327-L695 WeakPolarHBondContact CA-O 3.26Å
328	H	97.9	Very high	95.1	Very high	17 Å²	17	18 Å²	18	8%	0.079	11%	0.105	C	C	.	.	S	Bend	trans	-123.6	142	171.9	171.7	-104.7	0	0	0	108.7	T330 E358 Y669 P670 L695 N696	H328-T330 PolarHBondContact O-N 3.1Å; H328-T330 VanDerWaalsContact O-N 3.16Å; H328-E358 WeakPolarHBondContact CA-OE2 3.27Å; H328-E358 IonicContact CD2-OE2 2.67Å; H328-E358 PolarHBondContact CD2-OE2 3.08Å; H328-E358 IonicContact CG-OE2 3.46Å; H328-Y669 AromaticContact NE2-CD2 3.97Å; H328-P670 HydrophobicContact CB-CG 4.27Å; H328-L695 PolarHBondContact N-O 2.82Å; H328-N696 PolarHBondContact ND1-OD1 3.13Å
329	N	96.9	Very high	94.7	Very high	7 Å²	7	16.8 Å²	16.8	4%	0.037	10%	0.098	C	C	.	.	S	Bend	trans	40.3	51.8	-177.6	-66.1	4.7	0	0	0	112.7	Y331 L332 Q336 E358 D360	N329-Y331 HydrophobicContact CB-CE1 3.99Å; N329-Y331 PolarHBondContact O-N 3.32Å; N329-L332 HydrophobicContact CB-CD1 3.89Å; N329-L332 HydrophobicContact CB-CG 4.28Å; N329-L332 PolarHBondContact O-N 3.38Å; N329-Q336 PolarHBondContact ND2-OE1 3.17Å; N329-E358 PolarHBondContact N-OE2 3.15Å; N329-D360 PolarHBondContact OD1-OD2 3Å
330	T	98.1	Very high	94.5	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.006	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-18.2	-163.5	-54.9	0	0	0	0	114.4	S327 H328 M345 Y346 V349 V357 E358	S327-T330 WeakPolarHBondContact CB-OG1 3.28Å; S327-T330 PolarHBondContact OG-OG1 2.99Å; H328-T330 PolarHBondContact O-N 3.1Å; H328-T330 VanDerWaalsContact O-N 3.16Å; T330-M345 VanDerWaalsContact O-CB 3.3Å; T330-M345 WeakPolarHBondContact O-CB 3.49Å; T330-M345 WeakPolarHBondContact O-CG 3.5Å; T330-Y346 HydrophobicContact CG2-CD1 3.67Å; T330-Y346 HydrophobicContact CG2-CE1 3.89Å; T330-Y346 HydrophobicContact CG2-CG 4.21Å; T330-V349 HydrophobicContact CG2-CB 4.03Å; T330-V349 HydrophobicContact CG2-CG1 3.91Å; T330-V349 HydrophobicContact CG2-CG2 4.09Å; T330-V357 HydrophobicContact CG2-CB 3.98Å; T330-V357 HydrophobicContact CG2-CG1 3.92Å; T330-E358 PolarHBondContact OG1-N 3Å
331	Y	96.8	Very high	94.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-24.8	175	52	-85.7	0	0	0	113.8	N329 S341 S342 D360 I373 H375	N329-Y331 HydrophobicContact CB-CE1 3.99Å; N329-Y331 PolarHBondContact O-N 3.32Å; Y331-S341 WeakPolarHBondContact CD2-OG 3.37Å; Y331-S341 CarbonylContact O-C 3.51Å; Y331-S341 VanDerWaalsContact O-CA 3.25Å; Y331-S341 WeakPolarHBondContact O-CA 3.48Å; Y331-S342 PolarHBondContact O-N 2.88Å; Y331-D360 HydrophobicContact CE1-CB 3.83Å; Y331-D360 WeakPolarHBondContact CE1-OD2 3.32Å; Y331-D360 VanDerWaalsContact CZ-OD2 3.31Å; Y331-D360 PolarHBondContact OH-OD2 2.89Å; Y331-I373 HydrophobicContact CD1-CG2 3.58Å; Y331-I373 HydrophobicContact CD2-CG2 4.3Å; Y331-I373 HydrophobicContact CE1-CG2 4.22Å; Y331-I373 HydrophobicContact CG-CG2 3.64Å; Y331-H375 HydrophobicContact CE2-CB 3.92Å; Y331-H375 VanDerWaalsContact OH-CA 3.29Å; Y331-H375 WeakPolarHBondContact OH-CA 3.4Å; Y331-H375 VanDerWaalsContact OH-CB 3.27Å; Y331-H375 WeakPolarHBondContact OH-CB 3.27Å; Y331-H375 PolarHBondContact OH-CD2 3.37Å
332	L	96.3	Very high	94.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-77.8	134	-173.7	-67.7	179	0	0	0	113.3	N329 C380	N329-L332 HydrophobicContact CB-CD1 3.89Å; N329-L332 HydrophobicContact CB-CG 4.28Å; N329-L332 PolarHBondContact O-N 3.38Å; L332-C380 HydrophobicContact CD2-CB 4.36Å
333	T	93.6	Very high	94.1	Very high	38 Å²	38	27.1 Å²	27.1	23%	0.233	15%	0.149	C	C	.	.	S	Bend	trans	-102	12.5	173.1	73.8	0	0	0	0	113.5	K340 M345	T333-K340 PolarHBondContact N-O 3.42Å; T333-K340 PolarHBondContact OG1-O 3.41Å; T333-M345 HydrophobicContact CG2-CB 4.28Å; T333-M345 HydrophobicContact CG2-SD 4.33Å
334	G	91.4	Very high	93.9	Very high	27 Å²	27	27.9 Å²	27.9	28%	0.278	15%	0.152	S	C	.	.	S	Bend	trans	-167.5	-142.1	-174.2	0	0	0	0	0	114	S677 Q698	G334-S677 WeakPolarHBondContact O-CB 3.3Å; G334-S677 PolarHBondContact O-OG 3.03Å; G334-Q698 WeakPolarHBondContact O-CG 3.21Å; G334-Q698 PolarHBondContact O-NE2 3.06Å
335	R	88.8	Confident	93.8	Very high	144 Å²	144	28 Å²	28	54%	0.543	15%	0.153	S	C	.	.			trans	-53.3	156.2	175	-68.2	-174.3	-179.4	-171.5	2.2	112	F337 G339 E591	R335-F337 VanDerWaalsContact C-N 3.27Å; R335-F337 WeakPolarHBondContact CB-O 3.4Å; R335-G339 WeakPolarHBondContact O-CA 3.48Å; R335-E591 IonicContact NH1-OE1 2.67Å; R335-E591 PolarHBondContact NH1-OE1 3.45Å; R335-E591 IonicContact NH1-OE2 2.68Å
336	Q	85.8	Confident	93.8	Very high	10 Å²	10	27.9 Å²	27.9	5%	0.047	15%	0.152	C	C	.	.	S	Bend	trans	-73.8	-19.5	172.6	-56.5	-66.2	-48.1	0	0	112.8	N329 H375 A378 C380 R674 V675 S677 N696	N329-Q336 PolarHBondContact ND2-OE1 3.17Å; Q336-H375 PolarHBondContact O-ND1 3.25Å; Q336-A378 WeakPolarHBondContact O-CB 2.97Å; Q336-C380 PolarHBondContact O-SG 2.87Å; Q336-C380 VanDerWaalsContact O-SG 3.42Å; Q336-R674 VanDerWaalsContact CG-O 3.29Å; Q336-R674 WeakPolarHBondContact CG-O 3.34Å; Q336-V675 PolarHBondContact N-O 3.06Å; Q336-S677 PolarHBondContact N-OG 3.1Å; Q336-S677 PolarHBondContact NE2-OG 3.47Å; Q336-N696 PolarHBondContact NE2-OD1 2.61Å
337	F	85.5	Confident	93.7	Very high	15 Å²	15	28.6 Å²	28.6	7%	0.066	16%	0.155	C	C	.	.	S	Bend	trans	-122.1	135.1	-179.6	-162.6	-99.5	0	0	0	109.4	R335 G339 A378 M379 E591 L594 I595 Y598	R335-F337 VanDerWaalsContact C-N 3.27Å; R335-F337 WeakPolarHBondContact CB-O 3.4Å; F337-G339 PolarHBondContact O-N 2.93Å; F337-A378 WeakPolarHBondContact CA-O 3.47Å; F337-A378 HydrophobicContact CD2-CB 3.84Å; F337-A378 WeakPolarHBondContact CD2-O 3.38Å; F337-A378 HydrophobicContact CE2-CB 4.39Å; F337-M379 HydrophobicContact CE1-CE 3.58Å; F337-M379 HydrophobicContact CZ-CE 3.79Å; F337-M379 HydrophobicContact CZ-CG 4.33Å; F337-E591 HydrophobicContact CD1-CG 4.23Å; F337-E591 HydrophobicContact CE1-CG 4.28Å; F337-L594 HydrophobicContact CE1-CB 4.35Å; F337-L594 HydrophobicContact CZ-CB 3.86Å; F337-I595 HydrophobicContact CD1-CG1 4.31Å; F337-I595 HydrophobicContact CE1-CG1 4.48Å; F337-I595 HydrophobicContact CG-CG1 4.38Å; F337-Y598 HydrophobicContact CE2-CD2 4.37Å
338	G	84	Confident	93.6	Very high	53 Å²	53	28.7 Å²	28.7	55%	0.546	16%	0.155	S	C	.	.	S	Bend	trans	62.9	15.6	-171.4	0	0	0	0	0	114.5	A378	G338-A378 PolarHBondContact N-O 3.25Å
339	G	88.1	Confident	93.5	Very high	5 Å²	5	27.9 Å²	27.9	5%	0.052	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-75.4	146	-172.9	0	0	0	0	0	113.8	R335 F337 C380 T381	R335-G339 WeakPolarHBondContact O-CA 3.48Å; F337-G339 PolarHBondContact O-N 2.93Å; G339-C380 PolarHBondContact N-SG 3.45Å; G339-C380 CarbonylContact O-C 3.52Å; G339-C380 WeakPolarHBondContact O-CA 3.43Å; G339-C380 VanDerWaalsContact O-CB 3.26Å; G339-C380 WeakPolarHBondContact O-CB 3.37Å; G339-T381 PolarHBondContact O-N 3.37Å; G339-T381 VanDerWaalsContact O-N 3.09Å
340	K	94.1	Very high	93.6	Very high	137 Å²	137	27.5 Å²	27.5	60%	0.596	15%	0.149	S	C	*	.	P	Polyproline II helix	trans	-78.6	127.8	167.4	-173.4	177	-176.8	-179.1	0	109.9	T333	T333-K340 PolarHBondContact N-O 3.42Å; T333-K340 PolarHBondContact OG1-O 3.41Å
341	S	95.4	Very high	93.3	Very high	3 Å²	3	28 Å²	28	2%	0.021	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-89.8	147.7	167.1	-49.1	0	0	0	0	110.5	Y331 T381	Y331-S341 WeakPolarHBondContact CD2-OG 3.37Å; Y331-S341 CarbonylContact O-C 3.51Å; Y331-S341 VanDerWaalsContact O-CA 3.25Å; Y331-S341 WeakPolarHBondContact O-CA 3.48Å; S341-T381 WeakPolarHBondContact CB-O 3.26Å; S341-T381 PolarHBondContact N-OG1 2.86Å; S341-T381 PolarHBondContact OG-O 3.06Å
342	S	95.6	Very high	93.2	Very high	29 Å²	29	30 Å²	30	20%	0.203	17%	0.165	C	C	.	.			trans	-149.7	129.5	-179.6	-175.3	0	0	0	0	112.8	Y331 E344 M345	Y331-S342 PolarHBondContact O-N 2.88Å; S342-E344 PolarHBondContact O-N 3.02Å; S342-E344 WeakPolarHBondContact OG-CB 3.47Å; S342-E344 PolarHBondContact OG-N 2.81Å; S342-M345 WeakPolarHBondContact O-CB 3.3Å; S342-M345 PolarHBondContact O-N 2.88Å; S342-M345 VanDerWaalsContact O-N 3.16Å
343	M	94.7	Very high	93.1	Very high	75 Å²	75	30 Å²	30	37%	0.369	17%	0.166	S	C	.	.	H	α-helix	trans	-62.3	-22.2	169.5	62.5	145.2	172.9	0	0	112.8	M345 R347 D387 V388 A391	M343-M345 VanDerWaalsContact C-N 3.29Å; M343-M345 PolarHBondContact O-N 3.24Å; M343-R347 PolarHBondContact SD-NH1 3.02Å; M343-D387 HydrophobicContact SD-CB 4.24Å; M343-V388 HydrophobicContact CB-CG2 3.95Å; M343-A391 HydrophobicContact CB-CB 4.45Å
344	E	94.9	Very high	93.3	Very high	20 Å²	20	28.2 Å²	28.2	9%	0.093	16%	0.155	C	C	.	.	H	α-helix	trans	-70.2	-28.9	178.1	-172.1	53.4	-145.8	0	0	111.8	R69 L109 F111 S342 Y346 R347 Q348	R69-E344 IonicContact CZ-OE1 3.19Å; R69-E344 IonicContact CZ-OE2 2.64Å; R69-E344 IonicContact NH1-OE1 3.17Å; R69-E344 IonicContact NH1-OE2 2.62Å; R69-E344 PolarHBondContact NH1-OE2 3.07Å; R69-E344 VanDerWaalsContact NH2-CD 3.28Å; R69-E344 IonicContact NH2-OE1 3.36Å; R69-E344 PolarHBondContact NH2-OE1 3.04Å; R69-E344 IonicContact NH2-OE2 2.76Å; R69-E344 PolarHBondContact NH2-OE2 3.06Å; L109-E344 HydrophobicContact CD1-CG 3.6Å; F111-E344 HydrophobicContact CZ-CG 4.37Å; S342-E344 PolarHBondContact O-N 3.02Å; S342-E344 WeakPolarHBondContact OG-CB 3.47Å; S342-E344 PolarHBondContact OG-N 2.81Å; E344-Y346 VanDerWaalsContact C-N 3.3Å; E344-Y346 PolarHBondContact O-N 3.22Å; E344-R347 WeakPolarHBondContact O-CB 3.49Å; E344-R347 PolarHBondContact O-N 3.01Å; E344-R347 WeakPolarHBondContact OE2-CD 3.41Å; E344-R347 IonicContact OE2-NH1 3.59Å; E344-R347 PolarHBondContact OE2-NH1 2.76Å; E344-Q348 HydrophobicContact CG-CG 4.4Å; E344-Q348 WeakPolarHBondContact O-CG 3.34Å; E344-Q348 PolarHBondContact O-N 3.16Å; E344-Q348 PolarHBondContact OE1-NE2 3.1Å
345	M	96.5	Very high	93.6	Very high	4 Å²	4	27 Å²	27	2%	0.02	14%	0.142	C	C	.	.	H	α-helix	trans	-61.7	-38.8	178.8	-164.2	65.9	-179	0	0	111.4	L106 V107 T330 T333 S342 M343 R347 Q348 V349 F697 Q698	L106-M345 HydrophobicContact CB-CE 4.43Å; V107-M345 HydrophobicContact CG2-CE 4.11Å; V107-M345 HydrophobicContact CG2-SD 4.28Å; T330-M345 VanDerWaalsContact O-CB 3.3Å; T330-M345 WeakPolarHBondContact O-CB 3.49Å; T330-M345 WeakPolarHBondContact O-CG 3.5Å; T333-M345 HydrophobicContact CG2-CB 4.28Å; T333-M345 HydrophobicContact CG2-SD 4.33Å; S342-M345 WeakPolarHBondContact O-CB 3.3Å; S342-M345 PolarHBondContact O-N 2.88Å; S342-M345 VanDerWaalsContact O-N 3.16Å; M343-M345 VanDerWaalsContact C-N 3.29Å; M343-M345 PolarHBondContact O-N 3.24Å; M345-R347 PolarHBondContact O-N 3.04Å; M345-Q348 PolarHBondContact O-N 3.35Å; M345-V349 HydrophobicContact CE-CG2 4.17Å; M345-V349 HydrophobicContact CG-CG2 4.3Å; M345-V349 VanDerWaalsContact O-CB 3.3Å; M345-V349 WeakPolarHBondContact O-CB 3.2Å; M345-V349 WeakPolarHBondContact O-CG2 3.4Å; M345-V349 PolarHBondContact O-N 3.35Å; M345-F697 HydrophobicContact CE-CB 4.02Å; M345-Q698 HydrophobicContact CE-CB 3.84Å
346	Y	98.3	Very high	94.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-59.9	-42.8	172.2	-67.7	-88.6	0	0	0	112.6	T330 E344 V349 L350 V357 E358 L359 I383 V388 I392	T330-Y346 HydrophobicContact CG2-CD1 3.67Å; T330-Y346 HydrophobicContact CG2-CE1 3.89Å; T330-Y346 HydrophobicContact CG2-CG 4.21Å; E344-Y346 VanDerWaalsContact C-N 3.3Å; E344-Y346 PolarHBondContact O-N 3.22Å; Y346-V349 PolarHBondContact O-N 3.49Å; Y346-L350 WeakPolarHBondContact O-CB 3.31Å; Y346-L350 VanDerWaalsContact O-CG 3.3Å; Y346-L350 WeakPolarHBondContact O-CG 3.46Å; Y346-L350 PolarHBondContact O-N 3.09Å; Y346-V357 HydrophobicContact CD1-CB 4.3Å; Y346-V357 HydrophobicContact CD1-CG2 4.37Å; Y346-V357 HydrophobicContact CE1-CB 4.48Å; Y346-E358 WeakPolarHBondContact CE1-O 3.26Å; Y346-E358 PolarHBondContact OH-O 3.25Å; Y346-L359 HydrophobicContact CE1-CD1 4.13Å; Y346-L359 HydrophobicContact CE1-CG 3.85Å; Y346-I383 HydrophobicContact CE2-CD1 4.25Å; Y346-V388 HydrophobicContact CD1-CG1 4.07Å; Y346-V388 HydrophobicContact CD2-CB 4.42Å; Y346-V388 HydrophobicContact CD2-CG1 3.69Å; Y346-V388 HydrophobicContact CD2-CG2 3.96Å; Y346-V388 HydrophobicContact CE1-CG1 3.87Å; Y346-V388 HydrophobicContact CE2-CB 4.22Å; Y346-V388 HydrophobicContact CE2-CG1 3.46Å; Y346-V388 VanDerWaalsContact CE2-CG1 3.46Å; Y346-V388 HydrophobicContact CE2-CG2 3.65Å; Y346-V388 HydrophobicContact CG-CG1 3.97Å; Y346-I392 HydrophobicContact CD1-CD1 4Å; Y346-I392 HydrophobicContact CD1-CG1 4.17Å; Y346-I392 HydrophobicContact CE1-CD1 4.39Å; Y346-I392 HydrophobicContact CG-CG1 4.41Å
347	R	96.8	Very high	94.7	Very high	16 Å²	16	19.7 Å²	19.7	6%	0.06	11%	0.114	C	C	.	.	H	α-helix	trans	-59.9	-50.7	176.2	-65.2	-163.1	-178.4	80.6	3.1	110.3	M343 E344 M345 V349 L350 L351 A391 E394 T395	M343-R347 PolarHBondContact SD-NH1 3.02Å; E344-R347 WeakPolarHBondContact O-CB 3.49Å; E344-R347 PolarHBondContact O-N 3.01Å; E344-R347 WeakPolarHBondContact OE2-CD 3.41Å; E344-R347 IonicContact OE2-NH1 3.59Å; E344-R347 PolarHBondContact OE2-NH1 2.76Å; M345-R347 PolarHBondContact O-N 3.04Å; R347-V349 PolarHBondContact O-N 3.03Å; R347-L350 PolarHBondContact O-N 3.47Å; R347-L351 HydrophobicContact CB-CD1 4.47Å; R347-L351 VanDerWaalsContact O-CB 3.26Å; R347-L351 WeakPolarHBondContact O-CB 3.46Å; R347-L351 VanDerWaalsContact O-CD1 3.29Å; R347-L351 WeakPolarHBondContact O-CD1 3.09Å; R347-L351 WeakPolarHBondContact O-CG 3.17Å; R347-L351 PolarHBondContact O-N 2.93Å; R347-A391 HydrophobicContact CG-CB 3.93Å; R347-A391 VanDerWaalsContact CZ-CB 3.41Å; R347-E394 IonicContact CZ-OE2 2.73Å; R347-E394 IonicContact NE-OE2 3.83Å; R347-E394 PolarHBondContact NE-OE2 2.94Å; R347-E394 IonicContact NH2-OE1 2.94Å; R347-E394 IonicContact NH2-OE2 3.77Å; R347-E394 PolarHBondContact NH2-OE2 3Å; R347-T395 HydrophobicContact CB-CG2 3.81Å; R347-T395 HydrophobicContact CG-CG2 3.71Å
348	Q	95.8	Very high	95.3	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-61.5	-44.8	-179.7	-62.2	-55	-34.3	0	0	112.8	N66 C101 L106 L109 E344 M345 L351 S352	N66-Q348 VanDerWaalsContact CG-OE1 3.25Å; N66-Q348 PolarHBondContact ND2-OE1 2.91Å; C101-Q348 PolarHBondContact SG-NE2 3.2Å; L106-Q348 HydrophobicContact CB-CB 4.26Å; L106-Q348 HydrophobicContact CD2-CB 4.24Å; L109-Q348 HydrophobicContact CD1-CG 3.83Å; L109-Q348 HydrophobicContact CD2-CG 4.19Å; E344-Q348 HydrophobicContact CG-CG 4.4Å; E344-Q348 WeakPolarHBondContact O-CG 3.34Å; E344-Q348 PolarHBondContact O-N 3.16Å; E344-Q348 PolarHBondContact OE1-NE2 3.1Å; M345-Q348 PolarHBondContact O-N 3.35Å; Q348-L351 PolarHBondContact O-N 2.8Å; Q348-S352 WeakPolarHBondContact O-CB 3.44Å; Q348-S352 PolarHBondContact O-N 3.3Å
349	V	97.1	Very high	96	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-64.6	-46.4	179.5	169.6	0	0	0	0	110.9	T330 M345 Y346 R347 S352 C354 V357 F697	T330-V349 HydrophobicContact CG2-CB 4.03Å; T330-V349 HydrophobicContact CG2-CG1 3.91Å; T330-V349 HydrophobicContact CG2-CG2 4.09Å; M345-V349 HydrophobicContact CE-CG2 4.17Å; M345-V349 HydrophobicContact CG-CG2 4.3Å; M345-V349 VanDerWaalsContact O-CB 3.3Å; M345-V349 WeakPolarHBondContact O-CB 3.2Å; M345-V349 WeakPolarHBondContact O-CG2 3.4Å; M345-V349 PolarHBondContact O-N 3.35Å; Y346-V349 PolarHBondContact O-N 3.49Å; R347-V349 PolarHBondContact O-N 3.03Å; V349-S352 PolarHBondContact O-N 3.43Å; V349-S352 PolarHBondContact O-OG 3.12Å; V349-C354 HydrophobicContact CG1-CB 3.41Å; V349-C354 VanDerWaalsContact CG1-CB 3.41Å; V349-C354 WeakPolarHBondContact O-CB 3.39Å; V349-C354 PolarHBondContact O-N 3.22Å; V349-V357 HydrophobicContact CG1-CG1 3.91Å; V349-F697 HydrophobicContact CB-CD1 4.3Å; V349-F697 HydrophobicContact CG1-CD1 3.96Å; V349-F697 HydrophobicContact CG1-CE1 4.14Å; V349-F697 HydrophobicContact CG1-CG 4.33Å; V349-F697 HydrophobicContact CG2-CB 3.74Å; V349-F697 HydrophobicContact CG2-CD1 3.78Å; V349-F697 HydrophobicContact CG2-CG 3.96Å
350	L	97.3	Very high	96.4	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-65.3	-42	176.4	-70.7	169.3	0	0	0	112.5	Y346 R347 S352 G353 R355 V357 I392 T395 A396 T399 V404	Y346-L350 WeakPolarHBondContact O-CB 3.31Å; Y346-L350 VanDerWaalsContact O-CG 3.3Å; Y346-L350 WeakPolarHBondContact O-CG 3.46Å; Y346-L350 PolarHBondContact O-N 3.09Å; R347-L350 PolarHBondContact O-N 3.47Å; L350-S352 VanDerWaalsContact C-N 3.29Å; L350-S352 PolarHBondContact O-N 3.11Å; L350-G353 PolarHBondContact O-N 3.32Å; L350-R355 PolarHBondContact O-NH2 3.19Å; L350-V357 HydrophobicContact CD2-CG1 3.96Å; L350-V357 HydrophobicContact CG-CG1 4.28Å; L350-I392 HydrophobicContact CD1-CB 4.13Å; L350-I392 HydrophobicContact CD1-CG1 3.98Å; L350-I392 HydrophobicContact CD1-CG2 3.99Å; L350-T395 WeakPolarHBondContact CD1-OG1 3.41Å; L350-A396 HydrophobicContact CD1-CB 4.46Å; L350-T399 PolarHBondContact O-OG1 3.22Å; L350-V404 HydrophobicContact CD2-CG1 3.95Å; L350-V404 HydrophobicContact CD2-CG2 4.22Å
351	L	93.7	Very high	96.5	Very high	12 Å²	12	10 Å²	10	6%	0.063	6%	0.056	C	C	.	.	H	α-helix	trans	-62.6	-34.1	176.3	-71.8	164.4	0	0	0	112.1	R347 Q348 G353 T395 V398 T399	R347-L351 HydrophobicContact CB-CD1 4.47Å; R347-L351 VanDerWaalsContact O-CB 3.26Å; R347-L351 WeakPolarHBondContact O-CB 3.46Å; R347-L351 VanDerWaalsContact O-CD1 3.29Å; R347-L351 WeakPolarHBondContact O-CD1 3.09Å; R347-L351 WeakPolarHBondContact O-CG 3.17Å; R347-L351 PolarHBondContact O-N 2.93Å; Q348-L351 PolarHBondContact O-N 2.8Å; L351-G353 PolarHBondContact O-N 3.17Å; L351-T395 HydrophobicContact CD1-CG2 4.22Å; L351-T395 HydrophobicContact CD2-CG2 4.49Å; L351-T395 HydrophobicContact CG-CG2 4.23Å; L351-V398 HydrophobicContact CD2-CB 3.88Å; L351-V398 HydrophobicContact CD2-CG1 3.67Å; L351-T399 HydrophobicContact CD2-CG2 4.29Å; L351-T399 WeakPolarHBondContact O-CG2 3.44Å; L351-T399 PolarHBondContact O-OG1 3.4Å
352	S	92.8	Very high	96.4	Very high	40 Å²	40	12 Å²	12	28%	0.28	6%	0.063	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	2	173.3	78.1	0	0	0	0	114.9	Q348 V349 L350	Q348-S352 WeakPolarHBondContact O-CB 3.44Å; Q348-S352 PolarHBondContact O-N 3.3Å; V349-S352 PolarHBondContact O-N 3.43Å; V349-S352 PolarHBondContact O-OG 3.12Å; L350-S352 VanDerWaalsContact C-N 3.29Å; L350-S352 PolarHBondContact O-N 3.11Å
353	G	94.6	Very high	96.3	Very high	2 Å²	2	13.2 Å²	13.2	2%	0.021	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.8	7.3	-178.8	0	0	0	0	0	114	L350 L351 G718	L350-G353 PolarHBondContact O-N 3.32Å; L351-G353 PolarHBondContact O-N 3.17Å; G353-G718 WeakPolarHBondContact O-CA 3.45Å
354	C	98.1	Very high	96.1	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.054	C	C	.	.			trans	-63.7	142.6	172.3	-166.4	0	0	0	0	110.8	S325 V349 C356 F697	S325-C354 PolarHBondContact O-SG 2.92Å; V349-C354 HydrophobicContact CG1-CB 3.41Å; V349-C354 VanDerWaalsContact CG1-CB 3.41Å; V349-C354 WeakPolarHBondContact O-CB 3.39Å; V349-C354 PolarHBondContact O-N 3.22Å; C354-C356 PolarHBondContact SG-O 3.47Å; C354-F697 HydrophobicContact CB-CE1 3.91Å; C354-F697 HydrophobicContact CB-CZ 3.98Å
355	R	98.6	Very high	95.5	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.093	C	C	.	.			trans	-123.9	-14.3	-173.5	-61.6	-69.4	86.7	-175.5	3.1	113.8	I324 S325 L350 A396 S400 Y402 P403 V404 I405 Y719	I324-R355 HydrophobicContact CG2-CB 3.8Å; S325-R355 PolarHBondContact O-N 2.84Å; L350-R355 PolarHBondContact O-NH2 3.19Å; R355-A396 VanDerWaalsContact CZ-O 3.24Å; R355-A396 PolarHBondContact NH1-O 3.49Å; R355-A396 PolarHBondContact NH2-O 3.02Å; R355-S400 PolarHBondContact NH1-O 3.43Å; R355-Y402 PolarHBondContact NH1-O 3.1Å; R355-P403 WeakPolarHBondContact CD-O 3.5Å; R355-V404 CarbonylContact O-C 3.32Å; R355-V404 VanDerWaalsContact O-CA 3.29Å; R355-V404 WeakPolarHBondContact O-CA 3.34Å; R355-I405 PolarHBondContact O-N 2.98Å; R355-Y719 HydrophobicContact CB-CD2 4.49Å; R355-Y719 HydrophobicContact CB-CE2 3.79Å; R355-Y719 HydrophobicContact CG-CD2 3.8Å; R355-Y719 HydrophobicContact CG-CE2 3.47Å; R355-Y719 VanDerWaalsContact CG-CE2 3.47Å
356	C	98.6	Very high	94.5	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.007	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	125	168	-174.1	0	0	0	0	110.2	S325 S326 S327 C354 I405 M692	S325-C356 PolarHBondContact O-N 3.06Å; S325-C356 VanDerWaalsContact O-N 3.09Å; S326-C356 WeakPolarHBondContact OG-CB 3.35Å; S327-C356 PolarHBondContact N-O 2.94Å; C354-C356 PolarHBondContact SG-O 3.47Å; C356-I405 WeakPolarHBondContact CA-O 3.5Å; C356-I405 HydrophobicContact CB-CB 4.27Å; C356-M692 HydrophobicContact CB-CG 4.24Å; C356-M692 HydrophobicContact CB-SD 4.33Å
357	V	98.7	Very high	93.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	151.9	-178.8	-64.4	0	0	0	0	110.9	T330 Y346 V349 L350 L359 I405 L406 S407	T330-V357 HydrophobicContact CG2-CB 3.98Å; T330-V357 HydrophobicContact CG2-CG1 3.92Å; Y346-V357 HydrophobicContact CD1-CB 4.3Å; Y346-V357 HydrophobicContact CD1-CG2 4.37Å; Y346-V357 HydrophobicContact CE1-CB 4.48Å; V349-V357 HydrophobicContact CG1-CG1 3.91Å; L350-V357 HydrophobicContact CD2-CG1 3.96Å; L350-V357 HydrophobicContact CG-CG1 4.28Å; V357-L359 HydrophobicContact CG2-CD1 4.23Å; V357-I405 PolarHBondContact N-O 2.7Å; V357-L406 HydrophobicContact CG2-CD2 3.46Å; V357-L406 VanDerWaalsContact CG2-CD2 3.46Å; V357-S407 PolarHBondContact O-N 3.06Å
358	E	98.4	Very high	92.5	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.019	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	132.2	-171.5	-177.4	139.6	-96.9	0	0	112.5	H328 N329 T330 Y346 D360 S407 R667	H328-E358 WeakPolarHBondContact CA-OE2 3.27Å; H328-E358 IonicContact CD2-OE2 2.67Å; H328-E358 PolarHBondContact CD2-OE2 3.08Å; H328-E358 IonicContact CG-OE2 3.46Å; N329-E358 PolarHBondContact N-OE2 3.15Å; T330-E358 PolarHBondContact OG1-N 3Å; Y346-E358 WeakPolarHBondContact CE1-O 3.26Å; Y346-E358 PolarHBondContact OH-O 3.25Å; E358-D360 WeakPolarHBondContact CG-OD1 3.16Å; E358-S407 WeakPolarHBondContact CA-O 3.5Å; E358-S407 PolarHBondContact OE1-OG 3.42Å; E358-R667 VanDerWaalsContact CD-NH1 3.34Å; E358-R667 IonicContact OE1-CZ 3.94Å; E358-R667 IonicContact OE1-NH1 2.7Å; E358-R667 PolarHBondContact OE1-NH1 2.87Å; E358-R667 IonicContact OE1-NH2 3.35Å; E358-R667 PolarHBondContact OE1-NH2 3.12Å; E358-R667 VanDerWaalsContact OE1-NH2 3.13Å; E358-R667 IonicContact OE2-CZ 3.82Å; E358-R667 IonicContact OE2-NH1 2.94Å; E358-R667 PolarHBondContact OE2-NH1 3.11Å; E358-R667 IonicContact OE2-NH2 3.5Å; E358-R667 PolarHBondContact OE2-NH2 3.02Å
359	L	97.9	Very high	92.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	108.8	-177.6	-60.4	82.5	0	0	0	108.7	Y346 V357 C361 I373 F385 V388 I389 I392 L406 S407 F408 E409	Y346-L359 HydrophobicContact CE1-CD1 4.13Å; Y346-L359 HydrophobicContact CE1-CG 3.85Å; V357-L359 HydrophobicContact CG2-CD1 4.23Å; L359-C361 PolarHBondContact O-N 3.41Å; L359-C361 PolarHBondContact O-SG 3.4Å; L359-I373 HydrophobicContact CB-CD1 4.04Å; L359-I373 HydrophobicContact CD2-CD1 3.89Å; L359-I373 HydrophobicContact CG-CD1 4.18Å; L359-F385 HydrophobicContact CD2-CE2 4.15Å; L359-V388 HydrophobicContact CD2-CG1 3.81Å; L359-V388 HydrophobicContact CG-CG1 4.39Å; L359-I389 HydrophobicContact CD2-CD1 4.06Å; L359-I392 HydrophobicContact CD1-CD1 4.4Å; L359-I392 HydrophobicContact CD2-CD1 4.06Å; L359-L406 HydrophobicContact CD1-CB 4.12Å; L359-L406 HydrophobicContact CD1-CD2 4.25Å; L359-S407 PolarHBondContact N-O 3.12Å; L359-F408 HydrophobicContact CB-CD1 4.06Å; L359-F408 HydrophobicContact CB-CE1 4.35Å; L359-F408 HydrophobicContact CD1-CD1 4.15Å; L359-F408 HydrophobicContact CD1-CE1 4.08Å; L359-F408 HydrophobicContact CD2-CD1 4.42Å; L359-F408 HydrophobicContact CD2-CE1 3.87Å; L359-F408 HydrophobicContact CG-CD1 4.44Å; L359-F408 HydrophobicContact CG-CE1 4.34Å; L359-F408 WeakPolarHBondContact O-CA 3.5Å; L359-E409 PolarHBondContact O-N 3.42Å
360	D	96.4	Very high	91.9	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.016	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	100.2	178.2	-60.4	-0.7	0	0	0	108	N329 Y331 E358 I373 T374 E409	N329-D360 PolarHBondContact OD1-OD2 3Å; Y331-D360 HydrophobicContact CE1-CB 3.83Å; Y331-D360 WeakPolarHBondContact CE1-OD2 3.32Å; Y331-D360 VanDerWaalsContact CZ-OD2 3.31Å; Y331-D360 PolarHBondContact OH-OD2 2.89Å; E358-D360 WeakPolarHBondContact CG-OD1 3.16Å; D360-I373 VanDerWaalsContact O-CA 3.26Å; D360-I373 WeakPolarHBondContact O-CA 3.43Å; D360-T374 PolarHBondContact O-N 2.74Å; D360-E409 CarbonylContact C-O 3.48Å; D360-E409 WeakPolarHBondContact CA-O 3.47Å; D360-E409 HydrophobicContact CB-CB 4.45Å
361	C	96.1	Very high	91.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	122.1	-166.8	-54.9	0	0	0	0	111.2	L359 I372 F385 E409 H411 C412 M420	L359-C361 PolarHBondContact O-N 3.41Å; L359-C361 PolarHBondContact O-SG 3.4Å; C361-I372 WeakPolarHBondContact CA-O 3.3Å; C361-F385 VanDerWaalsContact SG-CD2 3.59Å; C361-F385 VanDerWaalsContact SG-CE2 3.57Å; C361-E409 PolarHBondContact N-O 2.98Å; C361-H411 WeakPolarHBondContact O-CA 3.2Å; C361-H411 WeakPolarHBondContact O-CB 3.42Å; C361-H411 PolarHBondContact O-N 3.44Å; C361-C412 VanDerWaalsContact C-SG 3.56Å; C361-M420 HydrophobicContact CB-CE 3.51Å; C361-M420 HydrophobicContact CB-SD 3.96Å; C361-M420 VanDerWaalsContact SG-CE 3.56Å
362	W	94.4	Very high	91.9	Very high	46 Å²	46	43 Å²	43	17%	0.174	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	153.6	-177.9	-67.1	82.8	0	0	0	111.5	G364 I372 T374 G376 H411 C412 E601	W362-G364 PolarHBondContact O-N 2.85Å; W362-I372 HydrophobicContact CB-CD1 4.35Å; W362-I372 HydrophobicContact CB-CG1 4.01Å; W362-I372 PolarHBondContact N-O 3.16Å; W362-I372 VanDerWaalsContact O-CG1 3.3Å; W362-I372 WeakPolarHBondContact O-CG1 3.49Å; W362-I372 PolarHBondContact O-N 2.98Å; W362-T374 HydrophobicContact CB-CG2 4.42Å; W362-T374 HydrophobicContact CG-CG2 4.14Å; W362-T374 PolarHBondContact NE1-O 3.1Å; W362-G376 VanDerWaalsContact CZ2-CA 3.41Å; W362-H411 HydrophobicContact CD2-CB 3.7Å; W362-H411 AromaticContact CD2-CG 3.98Å; W362-H411 AromaticContact CE2-CD2 3.33Å; W362-H411 AromaticContact CE2-CG 3.65Å; W362-H411 AromaticContact CE2-NE2 3.92Å; W362-H411 HydrophobicContact CE3-CB 3.67Å; W362-H411 HydrophobicContact CG-CB 4.28Å; W362-H411 HydrophobicContact CH2-CB 4.09Å; W362-H411 AromaticContact CH2-CE1 4Å; W362-H411 AromaticContact CH2-CG 3.71Å; W362-H411 AromaticContact CH2-ND1 3.75Å; W362-H411 HydrophobicContact CZ2-CB 4.1Å; W362-H411 AromaticContact CZ2-CD2 3.32Å; W362-H411 WeakPolarHBondContact CZ2-CD2 3.45Å; W362-H411 AromaticContact CZ2-CE1 3.73Å; W362-H411 AromaticContact CZ2-CG 3.49Å; W362-H411 VanDerWaalsContact CZ2-CG 3.49Å; W362-H411 AromaticContact CZ2-ND1 3.8Å; W362-H411 AromaticContact CZ2-NE2 3.47Å; W362-H411 WeakPolarHBondContact CZ2-NE2 3.48Å; W362-H411 HydrophobicContact CZ3-CB 3.88Å; W362-H411 AromaticContact NE1-CD2 3.56Å; W362-C412 PolarHBondContact O-SG 3.11Å; W362-C412 VanDerWaalsContact O-SG 3.42Å; W362-E601 HydrophobicContact CH2-CB 4.22Å
363	D	92.7	Very high	92.1	Very high	54 Å²	54	41 Å²	41	29%	0.289	21%	0.209	S	C	.	.			trans	-64.5	122	173.3	-77.1	-46	0	0	0	110.8	S413 Q416	D363-S413 WeakPolarHBondContact OD1-CB 3.33Å; D363-S413 PolarHBondContact OD1-N 3.44Å; D363-S413 PolarHBondContact OD1-OG 2.86Å; D363-S413 VanDerWaalsContact OD2-CB 3.32Å; D363-S413 WeakPolarHBondContact OD2-CB 3.05Å; D363-S413 PolarHBondContact OD2-N 3.37Å; D363-Q416 VanDerWaalsContact OD1-CB 3.32Å; D363-Q416 WeakPolarHBondContact OD1-CB 3.47Å; D363-Q416 VanDerWaalsContact OD1-CG 3.27Å; D363-Q416 WeakPolarHBondContact OD1-CG 3.44Å; D363-Q416 PolarHBondContact OD1-NE2 3.44Å
364	G	90.3	Very high	92.1	Very high	8 Å²	8	41.5 Å²	41.5	8%	0.082	21%	0.212	C	C	.	.			trans	-74.1	144	172.3	0	0	0	0	0	112	W362 E370 Q416	W362-G364 PolarHBondContact O-N 2.85Å; G364-E370 VanDerWaalsContact CA-O 3.23Å; G364-E370 WeakPolarHBondContact CA-O 3.2Å; G364-E370 PolarHBondContact N-O 3.09Å; G364-Q416 PolarHBondContact O-NE2 2.7Å; G364-Q416 VanDerWaalsContact O-NE2 3.17Å
365	K	81.7	Confident	91.6	Very high	211 Å²	211	42.8 Å²	42.8	92%	0.917	22%	0.218	S	C	*	.			trans	-98.6	5	-172.6	-59.9	173.3	-175.5	167.1	0	114.3
366	G	76.5	Confident	90.6	Very high	50 Å²	50	43.1 Å²	43.1	52%	0.515	22%	0.221	S	C	.	.	S	Bend	trans	-76.2	163.9	175.9	0	0	0	0	0	112.5	D368 Q369	G366-D368 VanDerWaalsContact C-N 3.25Å; G366-D368 PolarHBondContact O-N 3.11Å; G366-Q369 PolarHBondContact O-N 2.95Å
367	E	77.1	Confident	89.5	Confident	197 Å²	197	49.7 Å²	49.7	92%	0.921	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-38.3	-177.8	-61.4	-176.1	169.5	0	0	112.5	Q369	E367-Q369 VanDerWaalsContact C-N 3.26Å; E367-Q369 PolarHBondContact O-N 3.49Å
368	D	76.7	Confident	88.5	Confident	134 Å²	134	49.8 Å²	49.8	72%	0.717	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-15	177.1	-62.7	-60.1	0	0	0	114.5	G366 E370 K419	G366-D368 VanDerWaalsContact C-N 3.25Å; G366-D368 PolarHBondContact O-N 3.11Å; D368-E370 HydrophobicContact CB-CG 4.11Å; D368-K419 PolarHBondContact O-NZ 3.26Å
369	Q	86.4	Confident	87.8	Confident	91 Å²	91	55.6 Å²	55.6	43%	0.425	28%	0.279	S	S	.	.			trans	53.6	51.8	-173.6	-57.1	-177	26.9	0	0	113.3	G366 E367 K419	G366-Q369 PolarHBondContact O-N 2.95Å; E367-Q369 VanDerWaalsContact C-N 3.26Å; E367-Q369 PolarHBondContact O-N 3.49Å; Q369-K419 PolarHBondContact O-NZ 3.12Å
370	E	93.3	Very high	87.3	Confident	40 Å²	40	56.2 Å²	56.2	19%	0.187	28%	0.283	C	S	.	.			trans	-83	131.4	177.6	-77.1	-62.5	106.6	0	0	112.3	G364 D368 L384 Q416 K419 Y423	G364-E370 VanDerWaalsContact CA-O 3.23Å; G364-E370 WeakPolarHBondContact CA-O 3.2Å; G364-E370 PolarHBondContact N-O 3.09Å; D368-E370 HydrophobicContact CB-CG 4.11Å; E370-L384 HydrophobicContact CB-CD2 4.28Å; E370-Q416 PolarHBondContact O-OE1 2.94Å; E370-K419 IonicContact OE1-NZ 3.4Å; E370-K419 PolarHBondContact OE1-NZ 3.02Å; E370-Y423 PolarHBondContact OE1-OH 3.39Å; E370-Y423 VanDerWaalsContact OE1-OH 3.11Å; E370-Y423 WeakPolarHBondContact OE2-CE2 3.48Å; E370-Y423 PolarHBondContact OE2-OH 2.98Å
371	P	95.4	Very high	87.1	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.302	C	S	.	.			trans	-62.8	137	177.8	22.2	-30.5	0	0	0	112.2	F385 Q416 K419 M420 Y423	P371-F385 HydrophobicContact CB-CB 3.98Å; P371-F385 HydrophobicContact CB-CG 4.42Å; P371-F385 HydrophobicContact CG-CB 4.07Å; P371-F385 HydrophobicContact CG-CD1 4.32Å; P371-F385 HydrophobicContact CG-CG 4.41Å; P371-F385 WeakPolarHBondContact O-CB 3.22Å; P371-F385 PolarHBondContact O-N 3Å; P371-Q416 VanDerWaalsContact CA-OE1 3.23Å; P371-Q416 HydrophobicContact CB-CB 4.31Å; P371-K419 HydrophobicContact CG-CB 4.29Å; P371-M420 HydrophobicContact CB-CG 3.85Å; P371-M420 HydrophobicContact CB-SD 4.43Å; P371-M420 HydrophobicContact CG-CG 3.92Å; P371-Y423 HydrophobicContact CG-CE2 4.35Å
372	I	96	Very high	86.9	Confident	21 Å²	21	63.9 Å²	63.9	11%	0.108	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	162.8	-179.1	58	166.6	0	0	0	111.6	C361 W362 T374 D382 I383 L384	C361-I372 WeakPolarHBondContact CA-O 3.3Å; W362-I372 HydrophobicContact CB-CD1 4.35Å; W362-I372 HydrophobicContact CB-CG1 4.01Å; W362-I372 PolarHBondContact N-O 3.16Å; W362-I372 VanDerWaalsContact O-CG1 3.3Å; W362-I372 WeakPolarHBondContact O-CG1 3.49Å; W362-I372 PolarHBondContact O-N 2.98Å; I372-T374 HydrophobicContact CD1-CG2 4.29Å; I372-D382 HydrophobicContact CB-CB 4.44Å; I372-D382 HydrophobicContact CD1-CB 4.05Å; I372-I383 CarbonylContact C-O 3.52Å; I372-I383 WeakPolarHBondContact CA-O 3.48Å; I372-L384 HydrophobicContact CG2-CD2 4.29Å
373	I	96.7	Very high	87	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	128.7	169.3	-65.1	165	0	0	0	109	Y331 L359 D360 I383 F385 V388	Y331-I373 HydrophobicContact CD1-CG2 3.58Å; Y331-I373 HydrophobicContact CD2-CG2 4.3Å; Y331-I373 HydrophobicContact CE1-CG2 4.22Å; Y331-I373 HydrophobicContact CG-CG2 3.64Å; L359-I373 HydrophobicContact CB-CD1 4.04Å; L359-I373 HydrophobicContact CD2-CD1 3.89Å; L359-I373 HydrophobicContact CG-CD1 4.18Å; D360-I373 VanDerWaalsContact O-CA 3.26Å; D360-I373 WeakPolarHBondContact O-CA 3.43Å; I373-I383 HydrophobicContact CB-CG1 4.03Å; I373-I383 HydrophobicContact CG2-CG1 4.47Å; I373-I383 PolarHBondContact N-O 3.41Å; I373-I383 WeakPolarHBondContact O-CG1 3.33Å; I373-I383 PolarHBondContact O-N 2.78Å; I373-F385 HydrophobicContact CD1-CB 4.33Å; I373-F385 HydrophobicContact CD1-CD2 3.89Å; I373-F385 HydrophobicContact CD1-CG 4.49Å; I373-F385 HydrophobicContact CG1-CB 4.34Å; I373-F385 HydrophobicContact CG1-CD2 4.15Å; I373-V388 HydrophobicContact CD1-CB 3.82Å; I373-V388 HydrophobicContact CD1-CG1 3.75Å; I373-V388 HydrophobicContact CD1-CG2 3.93Å
374	T	93.3	Very high	87.2	Confident	12 Å²	12	63.9 Å²	63.9	7%	0.074	33%	0.329	C	S	.	.			trans	-166	158.2	-177.1	-162.8	0	0	0	0	110	D360 W362 I372 G376 D382	D360-T374 PolarHBondContact O-N 2.74Å; W362-T374 HydrophobicContact CB-CG2 4.42Å; W362-T374 HydrophobicContact CG-CG2 4.14Å; W362-T374 PolarHBondContact NE1-O 3.1Å; I372-T374 HydrophobicContact CD1-CG2 4.29Å; T374-G376 PolarHBondContact O-N 3.47Å; T374-D382 WeakPolarHBondContact CB-OD1 3.3Å; T374-D382 WeakPolarHBondContact CG2-OD1 3.49Å; T374-D382 PolarHBondContact OG1-OD1 3.45Å
375	H	87.8	Confident	87.5	Confident	27 Å²	27	63.5 Å²	63.5	13%	0.125	33%	0.325	C	S	.	.			trans	-80.8	108.9	171.7	-167.2	-141.9	0	0	0	108.9	Y331 Q336 K377 A378 C380	Y331-H375 HydrophobicContact CE2-CB 3.92Å; Y331-H375 VanDerWaalsContact OH-CA 3.29Å; Y331-H375 WeakPolarHBondContact OH-CA 3.4Å; Y331-H375 VanDerWaalsContact OH-CB 3.27Å; Y331-H375 WeakPolarHBondContact OH-CB 3.27Å; Y331-H375 PolarHBondContact OH-CD2 3.37Å; Q336-H375 PolarHBondContact O-ND1 3.25Å; H375-K377 PolarHBondContact O-N 2.83Å; H375-A378 HydrophobicContact CB-CB 4.02Å; H375-A378 WeakPolarHBondContact ND1-CB 3.5Å; H375-A378 WeakPolarHBondContact O-CB 3.47Å; H375-A378 PolarHBondContact O-N 2.9Å; H375-A378 VanDerWaalsContact O-N 3.11Å; H375-C380 HydrophobicContact CB-CB 4.19Å
376	G	79.2	Confident	88.2	Confident	6 Å²	6	57.6 Å²	57.6	6%	0.062	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	128.8	-170.6	0	0	0	0	0	113.1	W362 T374 A378 Y598	W362-G376 VanDerWaalsContact CZ2-CA 3.41Å; T374-G376 PolarHBondContact O-N 3.47Å; G376-A378 PolarHBondContact O-N 3.22Å; G376-Y598 WeakPolarHBondContact O-CE2 3.32Å; G376-Y598 PolarHBondContact O-OH 3.39Å
377	K	74.3	Confident	89.2	Confident	139 Å²	139	58.6 Å²	58.6	60%	0.604	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	6.5	179.7	-65.8	178.1	170.5	169.6	0	116.3	H375 M379 Y598 E601	H375-K377 PolarHBondContact O-N 2.83Å; K377-M379 PolarHBondContact O-N 2.9Å; K377-Y598 HydrophobicContact CB-CE2 4.1Å; K377-E601 HydrophobicContact CD-CG 4.38Å; K377-E601 VanDerWaalsContact CD-OE2 3.3Å; K377-E601 WeakPolarHBondContact CD-OE2 3.4Å; K377-E601 WeakPolarHBondContact CE-OE2 3.31Å; K377-E601 IonicContact NZ-OE1 2.7Å; K377-E601 PolarHBondContact NZ-OE1 2.91Å; K377-E601 IonicContact NZ-OE2 2.8Å; K377-E601 PolarHBondContact NZ-OE2 3.35Å
378	A	77.4	Confident	90.2	Very high	2 Å²	2	49.2 Å²	49.2	2%	0.017	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	19.1	-172.9	0	0	0	0	0	114.8	Q336 F337 G338 H375 G376 C380 Y598	Q336-A378 WeakPolarHBondContact O-CB 2.97Å; F337-A378 WeakPolarHBondContact CA-O 3.47Å; F337-A378 HydrophobicContact CD2-CB 3.84Å; F337-A378 WeakPolarHBondContact CD2-O 3.38Å; F337-A378 HydrophobicContact CE2-CB 4.39Å; G338-A378 PolarHBondContact N-O 3.25Å; H375-A378 HydrophobicContact CB-CB 4.02Å; H375-A378 WeakPolarHBondContact ND1-CB 3.5Å; H375-A378 WeakPolarHBondContact O-CB 3.47Å; H375-A378 PolarHBondContact O-N 2.9Å; H375-A378 VanDerWaalsContact O-N 3.11Å; G376-A378 PolarHBondContact O-N 3.22Å; A378-C380 PolarHBondContact O-N 2.87Å; A378-Y598 HydrophobicContact CB-CE2 3.86Å
379	M	83.3	Confident	91.2	Very high	126 Å²	126	42.9 Å²	42.9	62%	0.621	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	26.3	-175	-57.1	-159.9	-64.1	0	0	115.1	F337 K377 L594	F337-M379 HydrophobicContact CE1-CE 3.58Å; F337-M379 HydrophobicContact CZ-CE 3.79Å; F337-M379 HydrophobicContact CZ-CG 4.33Å; K377-M379 PolarHBondContact O-N 2.9Å; M379-L594 HydrophobicContact CE-CD1 3.85Å; M379-L594 HydrophobicContact SD-CD1 4.45Å
380	C	88.5	Confident	91.7	Very high	14 Å²	14	41.5 Å²	41.5	10%	0.095	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-77.3	160.7	174.3	-66	0	0	0	0	111.1	L332 Q336 G339 H375 A378	L332-C380 HydrophobicContact CD2-CB 4.36Å; Q336-C380 PolarHBondContact O-SG 2.87Å; Q336-C380 VanDerWaalsContact O-SG 3.42Å; G339-C380 PolarHBondContact N-SG 3.45Å; G339-C380 CarbonylContact O-C 3.52Å; G339-C380 WeakPolarHBondContact O-CA 3.43Å; G339-C380 VanDerWaalsContact O-CB 3.26Å; G339-C380 WeakPolarHBondContact O-CB 3.37Å; H375-C380 HydrophobicContact CB-CB 4.19Å; A378-C380 PolarHBondContact O-N 2.87Å
381	T	92.1	Very high	91.8	Very high	67 Å²	67	39.6 Å²	39.6	41%	0.411	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-78.7	142.7	176.9	66.1	0	0	0	0	111.4	G339 S341	G339-T381 PolarHBondContact O-N 3.37Å; G339-T381 VanDerWaalsContact O-N 3.09Å; S341-T381 WeakPolarHBondContact CB-O 3.26Å; S341-T381 PolarHBondContact N-OG1 2.86Å; S341-T381 PolarHBondContact OG-O 3.06Å
382	D	92.9	Very high	91.9	Very high	97 Å²	97	39.6 Å²	39.6	52%	0.519	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-84.6	147.7	179.2	-54.2	-28	0	0	0	112.1	I372 T374	I372-D382 HydrophobicContact CB-CB 4.44Å; I372-D382 HydrophobicContact CD1-CB 4.05Å; T374-D382 WeakPolarHBondContact CB-OD1 3.3Å; T374-D382 WeakPolarHBondContact CG2-OD1 3.49Å; T374-D382 PolarHBondContact OG1-OD1 3.45Å
383	I	95.9	Very high	92	Very high	27 Å²	27	42.6 Å²	42.6	14%	0.138	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	151	169.4	59.4	178.3	0	0	0	110.5	Y346 I372 I373 V388	Y346-I383 HydrophobicContact CE2-CD1 4.25Å; I372-I383 CarbonylContact C-O 3.52Å; I372-I383 WeakPolarHBondContact CA-O 3.48Å; I373-I383 HydrophobicContact CB-CG1 4.03Å; I373-I383 HydrophobicContact CG2-CG1 4.47Å; I373-I383 PolarHBondContact N-O 3.41Å; I373-I383 WeakPolarHBondContact O-CG1 3.33Å; I373-I383 PolarHBondContact O-N 2.78Å; I383-V388 HydrophobicContact CD1-CG2 3.55Å; I383-V388 HydrophobicContact CG1-CG2 4.13Å
384	L	96.4	Very high	91.8	Very high	72 Å²	72	46.5 Å²	46.5	38%	0.377	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	133.1	-178.9	-61.8	179.9	0	0	0	111.7	E370 I372 K386 D387 V388	E370-L384 HydrophobicContact CB-CD2 4.28Å; I372-L384 HydrophobicContact CG2-CD2 4.29Å; L384-K386 VanDerWaalsContact C-N 3.28Å; L384-K386 PolarHBondContact O-N 3.02Å; L384-D387 HydrophobicContact CB-CB 4.34Å; L384-D387 PolarHBondContact O-N 3.48Å; L384-V388 PolarHBondContact O-N 3.37Å
385	F	97.1	Very high	91.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-57.9	-42.2	175.6	174.7	-88.6	0	0	0	111.5	L359 C361 P371 I373 D387 V388 I389 F408 M420 Y423	L359-F385 HydrophobicContact CD2-CE2 4.15Å; C361-F385 VanDerWaalsContact SG-CD2 3.59Å; C361-F385 VanDerWaalsContact SG-CE2 3.57Å; P371-F385 HydrophobicContact CB-CB 3.98Å; P371-F385 HydrophobicContact CB-CG 4.42Å; P371-F385 HydrophobicContact CG-CB 4.07Å; P371-F385 HydrophobicContact CG-CD1 4.32Å; P371-F385 HydrophobicContact CG-CG 4.41Å; P371-F385 WeakPolarHBondContact O-CB 3.22Å; P371-F385 PolarHBondContact O-N 3Å; I373-F385 HydrophobicContact CD1-CB 4.33Å; I373-F385 HydrophobicContact CD1-CD2 3.89Å; I373-F385 HydrophobicContact CD1-CG 4.49Å; I373-F385 HydrophobicContact CG1-CB 4.34Å; I373-F385 HydrophobicContact CG1-CD2 4.15Å; F385-D387 VanDerWaalsContact C-N 3.34Å; F385-D387 PolarHBondContact O-N 2.89Å; F385-V388 WeakPolarHBondContact O-CB 3.44Å; F385-V388 PolarHBondContact O-N 2.96Å; F385-I389 HydrophobicContact CD1-CG1 3.84Å; F385-I389 HydrophobicContact CE1-CD1 4.01Å; F385-I389 HydrophobicContact CE1-CG1 3.42Å; F385-I389 VanDerWaalsContact CE1-CG1 3.42Å; F385-I389 HydrophobicContact CE2-CD1 4.19Å; F385-I389 HydrophobicContact CE2-CG1 4.27Å; F385-I389 HydrophobicContact CG-CG1 4.44Å; F385-I389 HydrophobicContact CZ-CD1 3.71Å; F385-I389 HydrophobicContact CZ-CG1 3.67Å; F385-I389 WeakPolarHBondContact O-CG1 3.47Å; F385-I389 PolarHBondContact O-N 3.08Å; F385-F408 HydrophobicContact CE2-CE1 4.31Å; F385-F408 HydrophobicContact CE2-CE2 4.17Å; F385-F408 AromaticContact CE2-CZ 3.86Å; F385-F408 HydrophobicContact CE2-CZ 3.86Å; F385-F408 HydrophobicContact CZ-CE2 4.05Å; F385-F408 AromaticContact CZ-CZ 3.74Å; F385-F408 HydrophobicContact CZ-CZ 3.74Å; F385-M420 HydrophobicContact CD1-CB 4.39Å; F385-M420 HydrophobicContact CD1-CG 4.02Å; F385-M420 HydrophobicContact CD2-CE 4.43Å; F385-M420 HydrophobicContact CD2-CG 4.25Å; F385-M420 HydrophobicContact CE1-CB 3.76Å; F385-M420 HydrophobicContact CE1-CG 3.84Å; F385-M420 HydrophobicContact CE2-CB 4.43Å; F385-M420 HydrophobicContact CE2-CE 3.85Å; F385-M420 HydrophobicContact CE2-CG 4.09Å; F385-M420 HydrophobicContact CG-CG 4.22Å; F385-M420 HydrophobicContact CZ-CB 3.78Å; F385-M420 HydrophobicContact CZ-CE 4.18Å; F385-M420 HydrophobicContact CZ-CG 3.88Å; F385-Y423 HydrophobicContact CD1-CD2 4.22Å
386	K	96.5	Very high	92.3	Very high	88 Å²	88	45 Å²	45	38%	0.383	22%	0.223	S	C	.	.	H	α-helix	trans	-56.2	-44.7	179.1	-172.5	-178.1	-178.5	-179	0	112.8	L384 I389 Q390 Y423 L427	L384-K386 VanDerWaalsContact C-N 3.28Å; L384-K386 PolarHBondContact O-N 3.02Å; K386-I389 PolarHBondContact O-N 2.94Å; K386-Q390 PolarHBondContact O-N 3.1Å; K386-Y423 HydrophobicContact CB-CD2 3.99Å; K386-Y423 HydrophobicContact CB-CE2 4.12Å; K386-Y423 HydrophobicContact CB-CG 4.47Å; K386-Y423 HydrophobicContact CD-CD1 4.5Å; K386-Y423 HydrophobicContact CD-CE1 4.17Å; K386-Y423 HydrophobicContact CD-CE2 4.25Å; K386-Y423 HydrophobicContact CG-CD1 4.34Å; K386-Y423 HydrophobicContact CG-CD2 4.19Å; K386-Y423 HydrophobicContact CG-CE1 4.49Å; K386-Y423 HydrophobicContact CG-CE2 4.31Å; K386-Y423 HydrophobicContact CG-CG 4.23Å; K386-L427 HydrophobicContact CG-CD1 4.3Å
387	D	96.1	Very high	93.1	Very high	71 Å²	71	46 Å²	46	38%	0.38	23%	0.226	S	C	.	.	H	α-helix	trans	-70.4	-34.1	-179.8	-64.3	-13.2	0	0	0	111.7	M343 L384 F385 Q390 A391	M343-D387 HydrophobicContact SD-CB 4.24Å; L384-D387 HydrophobicContact CB-CB 4.34Å; L384-D387 PolarHBondContact O-N 3.48Å; F385-D387 VanDerWaalsContact C-N 3.34Å; F385-D387 PolarHBondContact O-N 2.89Å; D387-Q390 PolarHBondContact O-N 2.9Å; D387-A391 VanDerWaalsContact O-CB 3.29Å; D387-A391 WeakPolarHBondContact O-CB 3.5Å; D387-A391 PolarHBondContact O-N 3.24Å
388	V	98	Very high	94	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-66.5	-44.3	172.6	167.8	0	0	0	0	111.5	M343 Y346 L359 I373 I383 L384 F385 Q390 A391 I392	M343-V388 HydrophobicContact CB-CG2 3.95Å; Y346-V388 HydrophobicContact CD1-CG1 4.07Å; Y346-V388 HydrophobicContact CD2-CB 4.42Å; Y346-V388 HydrophobicContact CD2-CG1 3.69Å; Y346-V388 HydrophobicContact CD2-CG2 3.96Å; Y346-V388 HydrophobicContact CE1-CG1 3.87Å; Y346-V388 HydrophobicContact CE2-CB 4.22Å; Y346-V388 HydrophobicContact CE2-CG1 3.46Å; Y346-V388 VanDerWaalsContact CE2-CG1 3.46Å; Y346-V388 HydrophobicContact CE2-CG2 3.65Å; Y346-V388 HydrophobicContact CG-CG1 3.97Å; L359-V388 HydrophobicContact CD2-CG1 3.81Å; L359-V388 HydrophobicContact CG-CG1 4.39Å; I373-V388 HydrophobicContact CD1-CB 3.82Å; I373-V388 HydrophobicContact CD1-CG1 3.75Å; I373-V388 HydrophobicContact CD1-CG2 3.93Å; I383-V388 HydrophobicContact CD1-CG2 3.55Å; I383-V388 HydrophobicContact CG1-CG2 4.13Å; L384-V388 PolarHBondContact O-N 3.37Å; F385-V388 WeakPolarHBondContact O-CB 3.44Å; F385-V388 PolarHBondContact O-N 2.96Å; V388-Q390 VanDerWaalsContact C-N 3.32Å; V388-Q390 PolarHBondContact O-N 2.87Å; V388-A391 WeakPolarHBondContact O-CB 3.5Å; V388-A391 PolarHBondContact O-N 3.45Å; V388-I392 HydrophobicContact CG1-CD1 3.74Å; V388-I392 HydrophobicContact CG1-CG1 4.4Å; V388-I392 WeakPolarHBondContact O-CB 3.45Å; V388-I392 VanDerWaalsContact O-CG1 3.24Å; V388-I392 WeakPolarHBondContact O-CG1 3.31Å; V388-I392 PolarHBondContact O-N 3.44Å
389	I	98.1	Very high	94.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.1	-41.5	175.3	-66.3	-58.8	0	0	0	111.1	L359 F385 K386 I392 K393 L406 L427 F428	L359-I389 HydrophobicContact CD2-CD1 4.06Å; F385-I389 HydrophobicContact CD1-CG1 3.84Å; F385-I389 HydrophobicContact CE1-CD1 4.01Å; F385-I389 HydrophobicContact CE1-CG1 3.42Å; F385-I389 VanDerWaalsContact CE1-CG1 3.42Å; F385-I389 HydrophobicContact CE2-CD1 4.19Å; F385-I389 HydrophobicContact CE2-CG1 4.27Å; F385-I389 HydrophobicContact CG-CG1 4.44Å; F385-I389 HydrophobicContact CZ-CD1 3.71Å; F385-I389 HydrophobicContact CZ-CG1 3.67Å; F385-I389 WeakPolarHBondContact O-CG1 3.47Å; F385-I389 PolarHBondContact O-N 3.08Å; K386-I389 PolarHBondContact O-N 2.94Å; I389-I392 PolarHBondContact O-N 2.87Å; I389-K393 WeakPolarHBondContact O-CB 3.22Å; I389-K393 PolarHBondContact O-N 3.14Å; I389-L406 HydrophobicContact CD1-CD1 4.43Å; I389-L427 HydrophobicContact CB-CD1 4.07Å; I389-L427 HydrophobicContact CG2-CB 3.79Å; I389-L427 HydrophobicContact CG2-CD1 3.63Å; I389-L427 HydrophobicContact CG2-CG 4.29Å; I389-F428 HydrophobicContact CB-CZ 4.37Å; I389-F428 HydrophobicContact CD1-CE2 3.9Å; I389-F428 HydrophobicContact CD1-CZ 3.77Å; I389-F428 HydrophobicContact CG2-CD1 4.32Å; I389-F428 HydrophobicContact CG2-CD2 4.38Å; I389-F428 HydrophobicContact CG2-CE1 3.85Å; I389-F428 HydrophobicContact CG2-CE2 3.92Å; I389-F428 HydrophobicContact CG2-CZ 3.64Å; I389-F428 WeakPolarHBondContact O-CE1 3.29Å
390	Q	96.6	Very high	95.1	Very high	63 Å²	63	38.1 Å²	38.1	29%	0.294	20%	0.197	S	C	.	.	H	α-helix	trans	-64.9	-41.8	173.7	177.2	56.3	33.5	0	0	112.3	K386 D387 V388 I392 K393 E394 L427	K386-Q390 PolarHBondContact O-N 3.1Å; D387-Q390 PolarHBondContact O-N 2.9Å; V388-Q390 VanDerWaalsContact C-N 3.32Å; V388-Q390 PolarHBondContact O-N 2.87Å; Q390-I392 VanDerWaalsContact C-N 3.35Å; Q390-I392 PolarHBondContact O-N 2.8Å; Q390-K393 WeakPolarHBondContact O-CB 3.19Å; Q390-K393 PolarHBondContact O-N 3.38Å; Q390-E394 PolarHBondContact NE2-OE1 3.11Å; Q390-E394 WeakPolarHBondContact O-CG 3.45Å; Q390-E394 PolarHBondContact O-N 3.45Å; Q390-E394 VanDerWaalsContact O-N 3.1Å; Q390-L427 HydrophobicContact CB-CD1 4.4Å
391	A	96.5	Very high	95.5	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.3	-38.9	174.9	0	0	0	0	0	113	M343 R347 D387 V388 T395	M343-A391 HydrophobicContact CB-CB 4.45Å; R347-A391 HydrophobicContact CG-CB 3.93Å; R347-A391 VanDerWaalsContact CZ-CB 3.41Å; D387-A391 VanDerWaalsContact O-CB 3.29Å; D387-A391 WeakPolarHBondContact O-CB 3.5Å; D387-A391 PolarHBondContact O-N 3.24Å; V388-A391 WeakPolarHBondContact O-CB 3.5Å; V388-A391 PolarHBondContact O-N 3.45Å; A391-T395 PolarHBondContact O-N 3.23Å; A391-T395 PolarHBondContact O-OG1 3.46Å
392	I	98.2	Very high	95.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.6	-47.2	174.3	-69.1	164.7	0	0	0	110	Y346 L350 L359 V388 I389 Q390 E394 T395 A396 L406 F428	Y346-I392 HydrophobicContact CD1-CD1 4Å; Y346-I392 HydrophobicContact CD1-CG1 4.17Å; Y346-I392 HydrophobicContact CE1-CD1 4.39Å; Y346-I392 HydrophobicContact CG-CG1 4.41Å; L350-I392 HydrophobicContact CD1-CB 4.13Å; L350-I392 HydrophobicContact CD1-CG1 3.98Å; L350-I392 HydrophobicContact CD1-CG2 3.99Å; L359-I392 HydrophobicContact CD1-CD1 4.4Å; L359-I392 HydrophobicContact CD2-CD1 4.06Å; V388-I392 HydrophobicContact CG1-CD1 3.74Å; V388-I392 HydrophobicContact CG1-CG1 4.4Å; V388-I392 WeakPolarHBondContact O-CB 3.45Å; V388-I392 VanDerWaalsContact O-CG1 3.24Å; V388-I392 WeakPolarHBondContact O-CG1 3.31Å; V388-I392 PolarHBondContact O-N 3.44Å; I389-I392 PolarHBondContact O-N 2.87Å; Q390-I392 VanDerWaalsContact C-N 3.35Å; Q390-I392 PolarHBondContact O-N 2.8Å; I392-E394 VanDerWaalsContact C-N 3.25Å; I392-E394 PolarHBondContact O-N 2.95Å; I392-T395 PolarHBondContact O-N 2.78Å; I392-T395 VanDerWaalsContact O-N 3.08Å; I392-A396 HydrophobicContact CG2-CB 4.37Å; I392-A396 VanDerWaalsContact O-CB 3.24Å; I392-A396 WeakPolarHBondContact O-CB 3.48Å; I392-A396 PolarHBondContact O-N 2.99Å; I392-L406 HydrophobicContact CD1-CD2 4.14Å; I392-L406 HydrophobicContact CG2-CD2 4.25Å; I392-F428 HydrophobicContact CB-CE1 4.16Å; I392-F428 HydrophobicContact CB-CZ 4.26Å; I392-F428 HydrophobicContact CG2-CE1 3.78Å; I392-F428 HydrophobicContact CG2-CZ 3.83Å
393	K	96.8	Very high	96.1	Very high	83 Å²	83	33.8 Å²	33.8	36%	0.361	17%	0.169	S	C	.	.	H	α-helix	trans	-53.9	-41.6	177.2	179.7	-168.1	-176.8	160	0	112.4	I389 Q390 T395 L427 F428	I389-K393 WeakPolarHBondContact O-CB 3.22Å; I389-K393 PolarHBondContact O-N 3.14Å; Q390-K393 WeakPolarHBondContact O-CB 3.19Å; Q390-K393 PolarHBondContact O-N 3.38Å; K393-T395 VanDerWaalsContact C-N 3.32Å; K393-T395 PolarHBondContact O-N 2.84Å; K393-L427 WeakPolarHBondContact CD-O 3.45Å; K393-L427 WeakPolarHBondContact CE-O 3.25Å; K393-L427 PolarHBondContact NZ-O 2.96Å; K393-F428 HydrophobicContact CB-CD1 4.03Å; K393-F428 HydrophobicContact CB-CE1 4.12Å
394	E	93.5	Very high	96.2	Very high	82 Å²	82	32.5 Å²	32.5	38%	0.383	16%	0.163	S	C	.	.	H	α-helix	trans	-68.2	-24.8	-179.9	-73.3	162.7	-168.5	0	0	114.4	R347 Q390 I392 V398	R347-E394 IonicContact CZ-OE2 2.73Å; R347-E394 IonicContact NE-OE2 3.83Å; R347-E394 PolarHBondContact NE-OE2 2.94Å; R347-E394 IonicContact NH2-OE1 2.94Å; R347-E394 IonicContact NH2-OE2 3.77Å; R347-E394 PolarHBondContact NH2-OE2 3Å; Q390-E394 PolarHBondContact NE2-OE1 3.11Å; Q390-E394 WeakPolarHBondContact O-CG 3.45Å; Q390-E394 PolarHBondContact O-N 3.45Å; Q390-E394 VanDerWaalsContact O-N 3.1Å; I392-E394 VanDerWaalsContact C-N 3.25Å; I392-E394 PolarHBondContact O-N 2.95Å; E394-V398 VanDerWaalsContact O-CG2 3.32Å; E394-V398 WeakPolarHBondContact O-CG2 3.35Å
395	T	95.1	Very high	96.3	Very high	8 Å²	8	29.1 Å²	29.1	5%	0.049	15%	0.145	C	C	.	.	H	α-helix	trans	-127.2	-19.6	-164.7	55.6	0	0	0	0	115.5	R347 L350 L351 A391 I392 K393 F397 V398	R347-T395 HydrophobicContact CB-CG2 3.81Å; R347-T395 HydrophobicContact CG-CG2 3.71Å; L350-T395 WeakPolarHBondContact CD1-OG1 3.41Å; L351-T395 HydrophobicContact CD1-CG2 4.22Å; L351-T395 HydrophobicContact CD2-CG2 4.49Å; L351-T395 HydrophobicContact CG-CG2 4.23Å; A391-T395 PolarHBondContact O-N 3.23Å; A391-T395 PolarHBondContact O-OG1 3.46Å; I392-T395 PolarHBondContact O-N 2.78Å; I392-T395 VanDerWaalsContact O-N 3.08Å; K393-T395 VanDerWaalsContact C-N 3.32Å; K393-T395 PolarHBondContact O-N 2.84Å; T395-F397 PolarHBondContact O-N 2.84Å; T395-F397 VanDerWaalsContact O-N 3.12Å; T395-V398 PolarHBondContact O-N 2.59Å
396	A	96.6	Very high	96.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-43	-177.1	0	0	0	0	0	113.3	L350 R355 I392 V404	L350-A396 HydrophobicContact CD1-CB 4.46Å; R355-A396 VanDerWaalsContact CZ-O 3.24Å; R355-A396 PolarHBondContact NH1-O 3.49Å; R355-A396 PolarHBondContact NH2-O 3.02Å; I392-A396 HydrophobicContact CG2-CB 4.37Å; I392-A396 VanDerWaalsContact O-CB 3.24Å; I392-A396 WeakPolarHBondContact O-CB 3.48Å; I392-A396 PolarHBondContact O-N 2.99Å; A396-V404 HydrophobicContact CB-CG2 4.05Å
397	F	96.3	Very high	96.5	Very high	27 Å²	27	25 Å²	25	12%	0.118	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	30.8	-174.5	-50.3	-64.1	0	0	0	113.8	T395 S400 V404 L431 R456 I458	T395-F397 PolarHBondContact O-N 2.84Å; T395-F397 VanDerWaalsContact O-N 3.12Å; F397-S400 WeakPolarHBondContact CA-O 3.45Å; F397-V404 HydrophobicContact CE1-CG2 3.98Å; F397-V404 HydrophobicContact CZ-CG2 4.32Å; F397-L431 HydrophobicContact CD2-CD1 4.34Å; F397-L431 HydrophobicContact CD2-CD2 4.13Å; F397-L431 HydrophobicContact CE2-CB 4.36Å; F397-L431 HydrophobicContact CE2-CD1 4.22Å; F397-L431 HydrophobicContact CE2-CD2 4.01Å; F397-L431 HydrophobicContact CE2-CG 4.43Å; F397-R456 HydrophobicContact CD1-CB 4.49Å; F397-R456 HydrophobicContact CD1-CG 4.44Å; F397-R456 HydrophobicContact CD2-CB 4.41Å; F397-R456 HydrophobicContact CG-CB 4.4Å; F397-R456 HydrophobicContact CG-CG 4.32Å; F397-R456 VanDerWaalsContact CZ-C 3.44Å; F397-I458 HydrophobicContact CE2-CD1 4.09Å; F397-I458 HydrophobicContact CE2-CG1 3.82Å; F397-I458 HydrophobicContact CZ-CD1 4.41Å; F397-I458 HydrophobicContact CZ-CG1 3.69Å
398	V	91.8	Very high	96.5	Very high	76 Å²	76	22 Å²	22	46%	0.461	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-43.9	176.7	173.1	0	0	0	0	112.1	L351 E394 T395	L351-V398 HydrophobicContact CD2-CB 3.88Å; L351-V398 HydrophobicContact CD2-CG1 3.67Å; E394-V398 VanDerWaalsContact O-CG2 3.32Å; E394-V398 WeakPolarHBondContact O-CG2 3.35Å; T395-V398 PolarHBondContact O-N 2.59Å
399	T	90.4	Very high	96.3	Very high	16 Å²	16	23.5 Å²	23.5	10%	0.098	12%	0.118	C	C	.	.	S	Bend	trans	-106.5	-10.5	-177.9	50.5	0	0	0	0	114.3	H134 F136 L350 L351	H134-T399 HydrophobicContact CB-CG2 4.14Å; F136-T399 HydrophobicContact CZ-CG2 4.01Å; L350-T399 PolarHBondContact O-OG1 3.22Å; L351-T399 HydrophobicContact CD2-CG2 4.29Å; L351-T399 WeakPolarHBondContact O-CG2 3.44Å; L351-T399 PolarHBondContact O-OG1 3.4Å
400	S	94.8	Very high	96.1	Very high	10 Å²	10	23.6 Å²	23.6	7%	0.07	12%	0.119	C	C	.	.			trans	-155.7	126.9	176.6	-179.9	0	0	0	0	110.6	R355 F397 Y402 C717	R355-S400 PolarHBondContact NH1-O 3.43Å; F397-S400 WeakPolarHBondContact CA-O 3.45Å; S400-Y402 PolarHBondContact O-N 3.43Å; S400-Y402 PolarHBondContact OG-N 3.22Å; S400-C717 WeakPolarHBondContact CB-O 3.41Å; S400-C717 WeakPolarHBondContact OG-CA 3.44Å; S400-C717 PolarHBondContact OG-O 3.39Å
401	D	96.6	Very high	95.9	Very high	73 Å²	73	21.9 Å²	21.9	39%	0.39	11%	0.11	S	C	.	.			trans	-73.9	-5.2	172.7	-78.1	-66.4	0	0	0	113.2	K455 R456	D401-K455 CarbonylContact O-C 3.57Å; D401-K455 WeakPolarHBondContact O-CA 3.35Å; D401-R456 HydrophobicContact CB-CG 4.12Å; D401-R456 PolarHBondContact O-N 3.31Å; D401-R456 VanDerWaalsContact OD1-CD 3.25Å; D401-R456 WeakPolarHBondContact OD1-CD 3.44Å; D401-R456 VanDerWaalsContact OD1-CG 3.27Å; D401-R456 WeakPolarHBondContact OD1-CG 3.47Å; D401-R456 IonicContact OD1-CZ 2.68Å; D401-R456 IonicContact OD1-NE 3.15Å; D401-R456 IonicContact OD1-NH1 3.38Å; D401-R456 PolarHBondContact OD1-NH1 2.84Å
402	Y	98.5	Very high	95.7	Very high	12 Å²	12	22 Å²	22	5%	0.047	11%	0.111	C	C	.	.	S	Bend	trans	-76.4	150.2	-177.4	-72.2	-76.1	0	0	0	112.6	L311 M315 R355 S400 P451 N452 K455 C717 Y719	L311-Y402 HydrophobicContact CD1-CE2 3.93Å; L311-Y402 HydrophobicContact CD2-CE2 4.14Å; L311-Y402 WeakPolarHBondContact CD2-OH 3.45Å; M315-Y402 HydrophobicContact CB-CE1 4.01Å; M315-Y402 HydrophobicContact CE-CD1 3.9Å; M315-Y402 HydrophobicContact CE-CD2 4.42Å; M315-Y402 HydrophobicContact CE-CE1 3.63Å; M315-Y402 HydrophobicContact CE-CE2 4.18Å; M315-Y402 HydrophobicContact CE-CG 4.28Å; M315-Y402 HydrophobicContact CG-CE1 4.27Å; R355-Y402 PolarHBondContact NH1-O 3.1Å; S400-Y402 PolarHBondContact O-N 3.43Å; S400-Y402 PolarHBondContact OG-N 3.22Å; Y402-P451 HydrophobicContact CD1-CB 3.47Å; Y402-P451 VanDerWaalsContact CD1-CB 3.47Å; Y402-P451 WeakPolarHBondContact CD1-O 3.26Å; Y402-P451 HydrophobicContact CE1-CB 3.84Å; Y402-N452 VanDerWaalsContact CE1-OD1 3.32Å; Y402-N452 WeakPolarHBondContact CE1-OD1 3.22Å; Y402-N452 PolarHBondContact OH-OD1 2.88Å; Y402-K455 HydrophobicContact CD1-CG 4.38Å; Y402-K455 VanDerWaalsContact CE1-CE 3.42Å; Y402-K455 HydrophobicContact CE1-CG 4.31Å; Y402-K455 VanDerWaalsContact CZ-CE 3.44Å; Y402-K455 WeakPolarHBondContact OH-CE 3.23Å; Y402-K455 PolarHBondContact OH-NZ 2.75Å; Y402-C717 HydrophobicContact CD2-CB 3.87Å; Y402-C717 HydrophobicContact CE2-CB 4.28Å; Y402-Y719 HydrophobicContact CG-CD2 4.33Å
403	P	98.4	Very high	95.3	Very high	1 Å²	1	24 Å²	24	1%	0.006	13%	0.126	C	C	.	.			trans	-54.7	155	-167.3	17.7	-32.4	0	0	0	114.8	R355 P451 L454 K457 L459 Y719	R355-P403 WeakPolarHBondContact CD-O 3.5Å; P403-P451 WeakPolarHBondContact CD-O 3.44Å; P403-L454 HydrophobicContact CB-CB 3.95Å; P403-L454 WeakPolarHBondContact CB-O 3.33Å; P403-L454 WeakPolarHBondContact CD-O 3.45Å; P403-L454 HydrophobicContact CG-CB 3.73Å; P403-K457 VanDerWaalsContact CA-O 3.24Å; P403-K457 WeakPolarHBondContact CA-O 3.22Å; P403-K457 WeakPolarHBondContact CB-O 3.46Å; P403-L459 HydrophobicContact CB-CD1 4.02Å; P403-Y719 HydrophobicContact CG-CE2 4.33Å; P403-Y719 PolarHBondContact O-OH 2.87Å
404	V	98.8	Very high	94.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	132.4	175.9	176	0	0	0	0	110	L350 R355 A396 F397 L406 K457 I458 L459	L350-V404 HydrophobicContact CD2-CG1 3.95Å; L350-V404 HydrophobicContact CD2-CG2 4.22Å; R355-V404 CarbonylContact O-C 3.32Å; R355-V404 VanDerWaalsContact O-CA 3.29Å; R355-V404 WeakPolarHBondContact O-CA 3.34Å; A396-V404 HydrophobicContact CB-CG2 4.05Å; F397-V404 HydrophobicContact CE1-CG2 3.98Å; F397-V404 HydrophobicContact CZ-CG2 4.32Å; V404-L406 HydrophobicContact CG1-CD2 3.97Å; V404-K457 PolarHBondContact N-O 2.86Å; V404-I458 CarbonylContact O-C 3.55Å; V404-I458 WeakPolarHBondContact O-CA 3.46Å; V404-L459 PolarHBondContact O-N 3.13Å
405	I	98.7	Very high	94.7	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.01	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	123.1	178.3	-56.2	174.3	0	0	0	108.7	I324 R355 C356 V357 L459 K461 A618 M692	I324-I405 HydrophobicContact CD1-CD1 4.36Å; R355-I405 PolarHBondContact O-N 2.98Å; C356-I405 WeakPolarHBondContact CA-O 3.5Å; C356-I405 HydrophobicContact CB-CB 4.27Å; V357-I405 PolarHBondContact N-O 2.7Å; I405-L459 HydrophobicContact CG1-CB 4.46Å; I405-K461 HydrophobicContact CG2-CB 4.12Å; I405-A618 HydrophobicContact CG2-CB 4.4Å; I405-M692 HydrophobicContact CD1-SD 3.87Å; I405-M692 HydrophobicContact CG2-SD 4.43Å
406	L	98.5	Very high	94.5	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	109.1	174.3	-53.2	-173.3	0	0	0	109.3	V357 L359 I389 I392 V404 F408 F428 I458 L459 K461	V357-L406 HydrophobicContact CG2-CD2 3.46Å; V357-L406 VanDerWaalsContact CG2-CD2 3.46Å; L359-L406 HydrophobicContact CD1-CB 4.12Å; L359-L406 HydrophobicContact CD1-CD2 4.25Å; I389-L406 HydrophobicContact CD1-CD1 4.43Å; I392-L406 HydrophobicContact CD1-CD2 4.14Å; I392-L406 HydrophobicContact CG2-CD2 4.25Å; V404-L406 HydrophobicContact CG1-CD2 3.97Å; L406-F408 HydrophobicContact CB-CD1 4.08Å; L406-F408 HydrophobicContact CB-CE1 3.74Å; L406-F408 HydrophobicContact CD1-CE1 4.09Å; L406-F408 PolarHBondContact O-N 3.35Å; L406-F428 HydrophobicContact CD1-CE2 3.63Å; L406-F428 HydrophobicContact CD1-CZ 3.77Å; L406-I458 HydrophobicContact CD1-CG2 3.62Å; L406-I458 HydrophobicContact CD2-CG2 4.36Å; L406-I458 HydrophobicContact CG-CG2 3.7Å; L406-L459 PolarHBondContact N-O 2.81Å; L406-K461 PolarHBondContact O-N 2.9Å
407	S	97.9	Very high	94.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	102.2	171.9	-178	0	0	0	0	108.6	V357 E358 L359 K461	V357-S407 PolarHBondContact O-N 3.06Å; E358-S407 WeakPolarHBondContact CA-O 3.5Å; E358-S407 PolarHBondContact OE1-OG 3.42Å; L359-S407 PolarHBondContact N-O 3.12Å; S407-K461 WeakPolarHBondContact OG-CD 3.49Å; S407-K461 PolarHBondContact OG-NZ 3.33Å
408	F	96.2	Very high	94.2	Very high	8 Å²	8	22.8 Å²	22.8	4%	0.035	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	123.9	173.6	-74.1	9.7	0	0	0	109.4	L359 F385 L406 M420 I460 K461 N462 L611	L359-F408 HydrophobicContact CB-CD1 4.06Å; L359-F408 HydrophobicContact CB-CE1 4.35Å; L359-F408 HydrophobicContact CD1-CD1 4.15Å; L359-F408 HydrophobicContact CD1-CE1 4.08Å; L359-F408 HydrophobicContact CD2-CD1 4.42Å; L359-F408 HydrophobicContact CD2-CE1 3.87Å; L359-F408 HydrophobicContact CG-CD1 4.44Å; L359-F408 HydrophobicContact CG-CE1 4.34Å; L359-F408 WeakPolarHBondContact O-CA 3.5Å; F385-F408 HydrophobicContact CE2-CE1 4.31Å; F385-F408 HydrophobicContact CE2-CE2 4.17Å; F385-F408 AromaticContact CE2-CZ 3.86Å; F385-F408 HydrophobicContact CE2-CZ 3.86Å; F385-F408 HydrophobicContact CZ-CE2 4.05Å; F385-F408 AromaticContact CZ-CZ 3.74Å; F385-F408 HydrophobicContact CZ-CZ 3.74Å; L406-F408 HydrophobicContact CB-CD1 4.08Å; L406-F408 HydrophobicContact CB-CE1 3.74Å; L406-F408 HydrophobicContact CD1-CE1 4.09Å; L406-F408 PolarHBondContact O-N 3.35Å; F408-M420 HydrophobicContact CD2-CE 3.86Å; F408-M420 HydrophobicContact CE2-CE 3.93Å; F408-I460 HydrophobicContact CD2-CG2 4.15Å; F408-I460 HydrophobicContact CE2-CD1 4.47Å; F408-I460 HydrophobicContact CE2-CG2 4.19Å; F408-I460 HydrophobicContact CG-CG2 4.48Å; F408-I460 HydrophobicContact CZ-CD1 4.43Å; F408-K461 PolarHBondContact N-O 3.08Å; F408-N462 HydrophobicContact CB-CB 4.19Å; F408-L611 HydrophobicContact CE2-CD1 4.2Å
409	E	94.1	Very high	94.3	Very high	33 Å²	33	21.2 Å²	21.2	15%	0.154	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	97.9	158.6	-159.7	-179.8	102.6	0	0	108.2	L359 D360 C361 H411 Y600 A603	L359-E409 PolarHBondContact O-N 3.42Å; D360-E409 CarbonylContact C-O 3.48Å; D360-E409 WeakPolarHBondContact CA-O 3.47Å; D360-E409 HydrophobicContact CB-CB 4.45Å; C361-E409 PolarHBondContact N-O 2.98Å; E409-H411 PolarHBondContact O-CD2 2.96Å; E409-H411 IonicContact OE1-CD2 2.67Å; E409-H411 IonicContact OE1-CE1 2.73Å; E409-H411 PolarHBondContact OE1-CE1 3.48Å; E409-H411 IonicContact OE1-NE2 2.86Å; E409-H411 PolarHBondContact OE1-NE2 3.17Å; E409-Y600 PolarHBondContact OE2-OH 2.91Å; E409-A603 HydrophobicContact CG-CB 3.93Å
410	N	93	Very high	94.5	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.011	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	117.1	-166.4	177.5	28.5	0	0	0	111.8	C412 Q417 A603 T604 I607	N410-C412 PolarHBondContact OD1-N 3.44Å; N410-Q417 VanDerWaalsContact ND2-CD 3.28Å; N410-Q417 PolarHBondContact ND2-NE2 3.38Å; N410-Q417 PolarHBondContact ND2-OE1 2.91Å; N410-A603 CarbonylContact O-C 3.57Å; N410-A603 WeakPolarHBondContact O-CA 3.3Å; N410-A603 WeakPolarHBondContact O-CB 3.49Å; N410-T604 WeakPolarHBondContact O-CG2 3.41Å; N410-T604 PolarHBondContact O-N 2.96Å; N410-I607 WeakPolarHBondContact ND2-CD1 3.43Å
411	H	92.5	Very high	94.5	Very high	26 Å²	26	20 Å²	20	12%	0.12	10%	0.098	C	C	.	.			trans	-119.4	4.8	175.2	-57.3	-83.3	0	0	0	112.8	C361 W362 E409 E601 A603	C361-H411 WeakPolarHBondContact O-CA 3.2Å; C361-H411 WeakPolarHBondContact O-CB 3.42Å; C361-H411 PolarHBondContact O-N 3.44Å; W362-H411 HydrophobicContact CD2-CB 3.7Å; W362-H411 AromaticContact CD2-CG 3.98Å; W362-H411 AromaticContact CE2-CD2 3.33Å; W362-H411 AromaticContact CE2-CG 3.65Å; W362-H411 AromaticContact CE2-NE2 3.92Å; W362-H411 HydrophobicContact CE3-CB 3.67Å; W362-H411 HydrophobicContact CG-CB 4.28Å; W362-H411 HydrophobicContact CH2-CB 4.09Å; W362-H411 AromaticContact CH2-CE1 4Å; W362-H411 AromaticContact CH2-CG 3.71Å; W362-H411 AromaticContact CH2-ND1 3.75Å; W362-H411 HydrophobicContact CZ2-CB 4.1Å; W362-H411 AromaticContact CZ2-CD2 3.32Å; W362-H411 WeakPolarHBondContact CZ2-CD2 3.45Å; W362-H411 AromaticContact CZ2-CE1 3.73Å; W362-H411 AromaticContact CZ2-CG 3.49Å; W362-H411 VanDerWaalsContact CZ2-CG 3.49Å; W362-H411 AromaticContact CZ2-ND1 3.8Å; W362-H411 AromaticContact CZ2-NE2 3.47Å; W362-H411 WeakPolarHBondContact CZ2-NE2 3.48Å; W362-H411 HydrophobicContact CZ3-CB 3.88Å; W362-H411 AromaticContact NE1-CD2 3.56Å; E409-H411 PolarHBondContact O-CD2 2.96Å; E409-H411 IonicContact OE1-CD2 2.67Å; E409-H411 IonicContact OE1-CE1 2.73Å; E409-H411 PolarHBondContact OE1-CE1 3.48Å; E409-H411 IonicContact OE1-NE2 2.86Å; E409-H411 PolarHBondContact OE1-NE2 3.17Å; H411-E601 PolarHBondContact CE1-O 3.3Å; H411-A603 PolarHBondContact CE1-N 2.91Å
412	C	92.3	Very high	94.4	Very high	3 Å²	3	18.2 Å²	18.2	2%	0.02	9%	0.087	C	C	.	.			trans	-76.4	150.9	-177.1	-67.2	0	0	0	0	114.2	C361 W362 N410 Q416 Q417 M420	C361-C412 VanDerWaalsContact C-SG 3.56Å; W362-C412 PolarHBondContact O-SG 3.11Å; W362-C412 VanDerWaalsContact O-SG 3.42Å; N410-C412 PolarHBondContact OD1-N 3.44Å; C412-Q416 HydrophobicContact CB-CB 4.18Å; C412-Q417 HydrophobicContact CB-CG 3.91Å; C412-Q417 PolarHBondContact O-NE2 2.76Å; C412-M420 HydrophobicContact CB-SD 3.94Å
413	S	91.1	Very high	94.3	Very high	43 Å²	43	19.1 Å²	19.1	30%	0.301	9%	0.091	S	C	.	.			trans	-56.1	158.6	163	65	0	0	0	0	113	D363 L415 Q416 Q417	D363-S413 WeakPolarHBondContact OD1-CB 3.33Å; D363-S413 PolarHBondContact OD1-N 3.44Å; D363-S413 PolarHBondContact OD1-OG 2.86Å; D363-S413 VanDerWaalsContact OD2-CB 3.32Å; D363-S413 WeakPolarHBondContact OD2-CB 3.05Å; D363-S413 PolarHBondContact OD2-N 3.37Å; S413-L415 PolarHBondContact O-N 3.46Å; S413-Q416 PolarHBondContact O-N 2.82Å; S413-Q416 PolarHBondContact OG-N 3.26Å; S413-Q417 WeakPolarHBondContact O-CB 3.28Å; S413-Q417 VanDerWaalsContact O-CG 3.31Å; S413-Q417 WeakPolarHBondContact O-CG 3.39Å; S413-Q417 PolarHBondContact O-N 3.21Å
414	K	87.4	Confident	94.2	Very high	53 Å²	53	19 Å²	19	23%	0.23	9%	0.09	C	C	.	.	H	α-helix	trans	-55	-34.9	175.4	-79.1	-180	179.1	171.4	0	113.1	Y418 I492 N606	K414-Y418 PolarHBondContact O-N 2.88Å; K414-I492 HydrophobicContact CB-CG2 3.86Å; K414-I492 VanDerWaalsContact CD-O 3.24Å; K414-I492 WeakPolarHBondContact CD-O 3.33Å; K414-N606 WeakPolarHBondContact CE-OD1 3.24Å
415	L	88.9	Confident	94	Very high	56 Å²	56	21 Å²	21	29%	0.293	10%	0.099	S	C	.	.	H	α-helix	trans	-67.4	-48.9	179.6	-176.3	58.5	0	0	0	111.6	S413 Y418 K419 I492	S413-L415 PolarHBondContact O-N 3.46Å; L415-Y418 PolarHBondContact O-N 2.57Å; L415-K419 PolarHBondContact O-N 3.35Å; L415-I492 HydrophobicContact CB-CG2 3.81Å; L415-I492 HydrophobicContact CD1-CD1 3.85Å; L415-I492 HydrophobicContact CD1-CG2 4.34Å
416	Q	92.2	Very high	93.8	Very high	5 Å²	5	26.8 Å²	26.8	2%	0.023	13%	0.127	C	C	.	.	H	α-helix	trans	-74.8	-29.2	178.7	-57.6	-164	31.7	0	0	111.8	D363 G364 E370 P371 C412 S413 Y418 K419 M420	D363-Q416 VanDerWaalsContact OD1-CB 3.32Å; D363-Q416 WeakPolarHBondContact OD1-CB 3.47Å; D363-Q416 VanDerWaalsContact OD1-CG 3.27Å; D363-Q416 WeakPolarHBondContact OD1-CG 3.44Å; D363-Q416 PolarHBondContact OD1-NE2 3.44Å; G364-Q416 PolarHBondContact O-NE2 2.7Å; G364-Q416 VanDerWaalsContact O-NE2 3.17Å; E370-Q416 PolarHBondContact O-OE1 2.94Å; P371-Q416 VanDerWaalsContact CA-OE1 3.23Å; P371-Q416 HydrophobicContact CB-CB 4.31Å; C412-Q416 HydrophobicContact CB-CB 4.18Å; S413-Q416 PolarHBondContact O-N 2.82Å; S413-Q416 PolarHBondContact OG-N 3.26Å; Q416-Y418 VanDerWaalsContact C-N 3.32Å; Q416-Y418 PolarHBondContact O-N 2.74Å; Q416-K419 WeakPolarHBondContact O-CB 3.23Å; Q416-K419 PolarHBondContact O-N 3.31Å; Q416-M420 VanDerWaalsContact O-CG 3.32Å; Q416-M420 WeakPolarHBondContact O-CG 3.44Å; Q416-M420 PolarHBondContact O-N 3.08Å
417	Q	93.4	Very high	93.7	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-60.4	-36.9	167.5	-75.4	-177.1	50.8	0	0	113	N410 C412 S413 M420 A421 N606 H608 L611	N410-Q417 VanDerWaalsContact ND2-CD 3.28Å; N410-Q417 PolarHBondContact ND2-NE2 3.38Å; N410-Q417 PolarHBondContact ND2-OE1 2.91Å; C412-Q417 HydrophobicContact CB-CG 3.91Å; C412-Q417 PolarHBondContact O-NE2 2.76Å; S413-Q417 WeakPolarHBondContact O-CB 3.28Å; S413-Q417 VanDerWaalsContact O-CG 3.31Å; S413-Q417 WeakPolarHBondContact O-CG 3.39Å; S413-Q417 PolarHBondContact O-N 3.21Å; Q417-M420 PolarHBondContact O-N 3.37Å; Q417-A421 WeakPolarHBondContact O-CB 3.08Å; Q417-A421 PolarHBondContact O-N 3.41Å; Q417-N606 PolarHBondContact NE2-O 3.1Å; Q417-H608 HydrophobicContact CB-CB 3.8Å; Q417-L611 HydrophobicContact CB-CD2 4.1Å; Q417-L611 HydrophobicContact CG-CD2 4.12Å
418	Y	91.8	Very high	93.7	Very high	59 Å²	59	28.7 Å²	28.7	23%	0.231	14%	0.136	C	C	.	.	H	α-helix	trans	-65.7	-42.2	173	176.9	-111.6	0	0	0	111.6	K414 L415 Q416 A421 K422 H608 Y610	K414-Y418 PolarHBondContact O-N 2.88Å; L415-Y418 PolarHBondContact O-N 2.57Å; Q416-Y418 VanDerWaalsContact C-N 3.32Å; Q416-Y418 PolarHBondContact O-N 2.74Å; Y418-A421 PolarHBondContact O-N 3.15Å; Y418-K422 HydrophobicContact CD2-CG 4.45Å; Y418-K422 HydrophobicContact CE1-CG 4.19Å; Y418-K422 HydrophobicContact CE2-CG 3.97Å; Y418-K422 PolarHBondContact O-N 3.44Å; Y418-K422 WeakPolarHBondContact OH-CE 3.41Å; Y418-H608 AromaticContact CD2-CE1 3.52Å; Y418-Y610 HydrophobicContact CE2-CD2 4.47Å
419	K	93.9	Very high	93.7	Very high	43 Å²	43	29.4 Å²	29.4	19%	0.187	15%	0.145	C	C	.	.	H	α-helix	trans	-58.8	-46.4	170.9	-70.2	-172.4	174.6	-173.1	0	112.2	D368 Q369 E370 P371 L415 Q416 A421 K422 Y423	D368-K419 PolarHBondContact O-NZ 3.26Å; Q369-K419 PolarHBondContact O-NZ 3.12Å; E370-K419 IonicContact OE1-NZ 3.4Å; E370-K419 PolarHBondContact OE1-NZ 3.02Å; P371-K419 HydrophobicContact CG-CB 4.29Å; L415-K419 PolarHBondContact O-N 3.35Å; Q416-K419 WeakPolarHBondContact O-CB 3.23Å; Q416-K419 PolarHBondContact O-N 3.31Å; K419-A421 VanDerWaalsContact C-N 3.34Å; K419-A421 PolarHBondContact O-N 3.26Å; K419-K422 PolarHBondContact O-N 3.19Å; K419-K422 VanDerWaalsContact O-N 3.15Å; K419-Y423 HydrophobicContact CB-CE2 4.08Å; K419-Y423 WeakPolarHBondContact O-CD2 3.47Å; K419-Y423 PolarHBondContact O-N 3.38Å
420	M	95.5	Very high	93.7	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-57	-46.6	177.1	-70.3	165.2	61.6	0	0	111.8	C361 P371 F385 F408 C412 Q416 Q417 Y423 C424 L611	C361-M420 HydrophobicContact CB-CE 3.51Å; C361-M420 HydrophobicContact CB-SD 3.96Å; C361-M420 VanDerWaalsContact SG-CE 3.56Å; P371-M420 HydrophobicContact CB-CG 3.85Å; P371-M420 HydrophobicContact CB-SD 4.43Å; P371-M420 HydrophobicContact CG-CG 3.92Å; F385-M420 HydrophobicContact CD1-CB 4.39Å; F385-M420 HydrophobicContact CD1-CG 4.02Å; F385-M420 HydrophobicContact CD2-CE 4.43Å; F385-M420 HydrophobicContact CD2-CG 4.25Å; F385-M420 HydrophobicContact CE1-CB 3.76Å; F385-M420 HydrophobicContact CE1-CG 3.84Å; F385-M420 HydrophobicContact CE2-CB 4.43Å; F385-M420 HydrophobicContact CE2-CE 3.85Å; F385-M420 HydrophobicContact CE2-CG 4.09Å; F385-M420 HydrophobicContact CG-CG 4.22Å; F385-M420 HydrophobicContact CZ-CB 3.78Å; F385-M420 HydrophobicContact CZ-CE 4.18Å; F385-M420 HydrophobicContact CZ-CG 3.88Å; F408-M420 HydrophobicContact CD2-CE 3.86Å; F408-M420 HydrophobicContact CE2-CE 3.93Å; C412-M420 HydrophobicContact CB-SD 3.94Å; Q416-M420 VanDerWaalsContact O-CG 3.32Å; Q416-M420 WeakPolarHBondContact O-CG 3.44Å; Q416-M420 PolarHBondContact O-N 3.08Å; Q417-M420 PolarHBondContact O-N 3.37Å; M420-Y423 PolarHBondContact O-N 3.34Å; M420-C424 PolarHBondContact O-N 2.73Å; M420-C424 PolarHBondContact O-SG 2.78Å; M420-L611 HydrophobicContact CE-CD2 4.39Å
421	A	94.4	Very high	94	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.7	-43	176.2	0	0	0	0	0	111.6	Q417 Y418 K419 C424 E425 L611 M614	Q417-A421 WeakPolarHBondContact O-CB 3.08Å; Q417-A421 PolarHBondContact O-N 3.41Å; Y418-A421 PolarHBondContact O-N 3.15Å; K419-A421 VanDerWaalsContact C-N 3.34Å; K419-A421 PolarHBondContact O-N 3.26Å; A421-C424 PolarHBondContact O-N 2.87Å; A421-E425 WeakPolarHBondContact O-CB 3.46Å; A421-E425 PolarHBondContact O-N 3.02Å; A421-L611 HydrophobicContact CB-CB 4.15Å; A421-L611 HydrophobicContact CB-CD1 4.21Å; A421-M614 HydrophobicContact CB-CE 3.99Å; A421-M614 HydrophobicContact CB-SD 4.28Å
422	K	94.7	Very high	94.2	Very high	36 Å²	36	34.7 Å²	34.7	16%	0.157	18%	0.175	C	C	.	.	H	α-helix	trans	-65.3	-43.3	177.1	-77.3	-72.3	154	-160.6	0	112.8	Y418 K419 C424 E425 E426	Y418-K422 HydrophobicContact CD2-CG 4.45Å; Y418-K422 HydrophobicContact CE1-CG 4.19Å; Y418-K422 HydrophobicContact CE2-CG 3.97Å; Y418-K422 PolarHBondContact O-N 3.44Å; Y418-K422 WeakPolarHBondContact OH-CE 3.41Å; K419-K422 PolarHBondContact O-N 3.19Å; K419-K422 VanDerWaalsContact O-N 3.15Å; K422-C424 VanDerWaalsContact C-N 3.33Å; K422-C424 PolarHBondContact O-N 2.98Å; K422-E425 IonicContact NZ-OE2 2.85Å; K422-E425 PolarHBondContact NZ-OE2 2.95Å; K422-E425 PolarHBondContact O-N 3.21Å; K422-E426 VanDerWaalsContact O-CB 3.29Å; K422-E426 WeakPolarHBondContact O-CB 2.92Å; K422-E426 VanDerWaalsContact O-CG 3.29Å; K422-E426 WeakPolarHBondContact O-CG 3.18Å; K422-E426 PolarHBondContact O-N 3.24Å
423	Y	96.6	Very high	94.4	Very high	30 Å²	30	34.9 Å²	34.9	12%	0.118	18%	0.176	C	C	.	.	H	α-helix	trans	-64.5	-35.8	174	-61.6	-32.3	0	0	0	112.7	E370 P371 F385 K386 K419 M420 L427	E370-Y423 PolarHBondContact OE1-OH 3.39Å; E370-Y423 VanDerWaalsContact OE1-OH 3.11Å; E370-Y423 WeakPolarHBondContact OE2-CE2 3.48Å; E370-Y423 PolarHBondContact OE2-OH 2.98Å; P371-Y423 HydrophobicContact CG-CE2 4.35Å; F385-Y423 HydrophobicContact CD1-CD2 4.22Å; K386-Y423 HydrophobicContact CB-CD2 3.99Å; K386-Y423 HydrophobicContact CB-CE2 4.12Å; K386-Y423 HydrophobicContact CB-CG 4.47Å; K386-Y423 HydrophobicContact CD-CD1 4.5Å; K386-Y423 HydrophobicContact CD-CE1 4.17Å; K386-Y423 HydrophobicContact CD-CE2 4.25Å; K386-Y423 HydrophobicContact CG-CD1 4.34Å; K386-Y423 HydrophobicContact CG-CD2 4.19Å; K386-Y423 HydrophobicContact CG-CE1 4.49Å; K386-Y423 HydrophobicContact CG-CE2 4.31Å; K386-Y423 HydrophobicContact CG-CG 4.23Å; K419-Y423 HydrophobicContact CB-CE2 4.08Å; K419-Y423 WeakPolarHBondContact O-CD2 3.47Å; K419-Y423 PolarHBondContact O-N 3.38Å; M420-Y423 PolarHBondContact O-N 3.34Å; Y423-L427 WeakPolarHBondContact O-CB 3.3Å; Y423-L427 WeakPolarHBondContact O-CG 3.27Å; Y423-L427 PolarHBondContact O-N 2.77Å
424	C	96.6	Very high	94.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.179	C	C	.	.	I	π-helix	trans	-63.4	-45.2	171.9	-66.6	0	0	0	0	111.7	M420 A421 K422 F428 L432 I460	M420-C424 PolarHBondContact O-N 2.73Å; M420-C424 PolarHBondContact O-SG 2.78Å; A421-C424 PolarHBondContact O-N 2.87Å; K422-C424 VanDerWaalsContact C-N 3.33Å; K422-C424 PolarHBondContact O-N 2.98Å; C424-F428 HydrophobicContact CB-CD2 4.21Å; C424-F428 HydrophobicContact CB-CE2 4.46Å; C424-F428 VanDerWaalsContact O-CB 3.26Å; C424-F428 WeakPolarHBondContact O-CB 3.16Å; C424-F428 WeakPolarHBondContact O-CD2 3.23Å; C424-F428 PolarHBondContact O-N 3.16Å; C424-F428 VanDerWaalsContact O-N 3.14Å; C424-L432 HydrophobicContact CB-CD2 4.14Å; C424-I460 HydrophobicContact CB-CD1 4.19Å
425	E	94.4	Very high	94.5	Very high	41 Å²	41	42 Å²	42	19%	0.192	20%	0.201	C	C	.	.	I	π-helix	trans	-67.3	-48.2	179.6	176.9	160.2	-119.8	0	0	112.9	A421 K422 G429 R434 M614	A421-E425 WeakPolarHBondContact O-CB 3.46Å; A421-E425 PolarHBondContact O-N 3.02Å; K422-E425 IonicContact NZ-OE2 2.85Å; K422-E425 PolarHBondContact NZ-OE2 2.95Å; K422-E425 PolarHBondContact O-N 3.21Å; E425-G429 VanDerWaalsContact O-CA 3.31Å; E425-G429 WeakPolarHBondContact O-CA 3.49Å; E425-G429 PolarHBondContact O-N 3.42Å; E425-R434 IonicContact OE1-CZ 2.72Å; E425-R434 IonicContact OE1-NH1 3.87Å; E425-R434 PolarHBondContact OE1-NH1 2.99Å; E425-M614 HydrophobicContact CB-CE 4.17Å
426	E	95.3	Very high	94.7	Very high	124 Å²	124	42.1 Å²	42.1	58%	0.579	21%	0.205	S	C	*	.	I	π-helix	trans	-73.2	-40	-176	-69.2	166.5	-163.4	0	0	112.7	K422	K422-E426 VanDerWaalsContact O-CB 3.29Å; K422-E426 WeakPolarHBondContact O-CB 2.92Å; K422-E426 VanDerWaalsContact O-CG 3.29Å; K422-E426 WeakPolarHBondContact O-CG 3.18Å; K422-E426 PolarHBondContact O-N 3.24Å
427	L	96.5	Very high	94.8	Very high	33 Å²	33	44.1 Å²	44.1	17%	0.173	22%	0.216	C	C	.	.	I	π-helix	trans	-83.3	-47	-177.3	-59.8	176.3	0	0	0	111.7	K386 I389 Q390 K393 Y423	K386-L427 HydrophobicContact CG-CD1 4.3Å; I389-L427 HydrophobicContact CB-CD1 4.07Å; I389-L427 HydrophobicContact CG2-CB 3.79Å; I389-L427 HydrophobicContact CG2-CD1 3.63Å; I389-L427 HydrophobicContact CG2-CG 4.29Å; Q390-L427 HydrophobicContact CB-CD1 4.4Å; K393-L427 WeakPolarHBondContact CD-O 3.45Å; K393-L427 WeakPolarHBondContact CE-O 3.25Å; K393-L427 PolarHBondContact NZ-O 2.96Å; Y423-L427 WeakPolarHBondContact O-CB 3.3Å; Y423-L427 WeakPolarHBondContact O-CG 3.27Å; Y423-L427 PolarHBondContact O-N 2.77Å
428	F	97.4	Very high	94.6	Very high	7 Å²	7	53.2 Å²	53.2	3%	0.031	26%	0.259	C	S	.	.	I	π-helix	trans	-78.6	-30.9	179.9	-61.1	-43.9	0	0	0	113.2	I389 I392 K393 L406 C424 D430 L431 L432 I458	I389-F428 HydrophobicContact CB-CZ 4.37Å; I389-F428 HydrophobicContact CD1-CE2 3.9Å; I389-F428 HydrophobicContact CD1-CZ 3.77Å; I389-F428 HydrophobicContact CG2-CD1 4.32Å; I389-F428 HydrophobicContact CG2-CD2 4.38Å; I389-F428 HydrophobicContact CG2-CE1 3.85Å; I389-F428 HydrophobicContact CG2-CE2 3.92Å; I389-F428 HydrophobicContact CG2-CZ 3.64Å; I389-F428 WeakPolarHBondContact O-CE1 3.29Å; I392-F428 HydrophobicContact CB-CE1 4.16Å; I392-F428 HydrophobicContact CB-CZ 4.26Å; I392-F428 HydrophobicContact CG2-CE1 3.78Å; I392-F428 HydrophobicContact CG2-CZ 3.83Å; K393-F428 HydrophobicContact CB-CD1 4.03Å; K393-F428 HydrophobicContact CB-CE1 4.12Å; L406-F428 HydrophobicContact CD1-CE2 3.63Å; L406-F428 HydrophobicContact CD1-CZ 3.77Å; C424-F428 HydrophobicContact CB-CD2 4.21Å; C424-F428 HydrophobicContact CB-CE2 4.46Å; C424-F428 VanDerWaalsContact O-CB 3.26Å; C424-F428 WeakPolarHBondContact O-CB 3.16Å; C424-F428 WeakPolarHBondContact O-CD2 3.23Å; C424-F428 PolarHBondContact O-N 3.16Å; C424-F428 VanDerWaalsContact O-N 3.14Å; F428-D430 PolarHBondContact O-N 2.85Å; F428-L431 HydrophobicContact CB-CB 4.25Å; F428-L431 VanDerWaalsContact O-CB 3.29Å; F428-L431 WeakPolarHBondContact O-CB 3.4Å; F428-L431 WeakPolarHBondContact O-CG 3.22Å; F428-L431 PolarHBondContact O-N 3.49Å; F428-L432 HydrophobicContact CB-CB 3.93Å; F428-L432 HydrophobicContact CD2-CD1 4.5Å; F428-I458 HydrophobicContact CB-CD1 4.37Å; F428-I458 HydrophobicContact CD1-CD1 3.44Å; F428-I458 VanDerWaalsContact CD1-CD1 3.44Å; F428-I458 HydrophobicContact CD2-CD1 4.21Å; F428-I458 HydrophobicContact CD2-CG2 4.37Å; F428-I458 HydrophobicContact CE1-CD1 3.58Å; F428-I458 HydrophobicContact CE2-CD1 4.32Å; F428-I458 HydrophobicContact CE2-CG2 4.11Å; F428-I458 HydrophobicContact CG-CD1 3.78Å; F428-I458 HydrophobicContact CZ-CD1 4.01Å; F428-I458 HydrophobicContact CZ-CG2 4.42Å
429	G	95.6	Very high	94.5	Very high	22 Å²	22	57.1 Å²	57.1	23%	0.227	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	54	-123.6	-178.6	0	0	0	0	0	112	E425 L431 L432	E425-G429 VanDerWaalsContact O-CA 3.31Å; E425-G429 WeakPolarHBondContact O-CA 3.49Å; E425-G429 PolarHBondContact O-N 3.42Å; G429-L431 PolarHBondContact O-N 2.94Å; G429-L432 WeakPolarHBondContact O-CB 3.18Å; G429-L432 PolarHBondContact O-N 3.35Å; G429-L432 VanDerWaalsContact O-N 3.07Å
430	D	95.3	Very high	94.5	Very high	130 Å²	130	57.4 Å²	57.4	70%	0.695	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-72.1	-7.8	-179.1	-58.6	-39.1	0	0	0	114.6	F428 L432 R434 K457	F428-D430 PolarHBondContact O-N 2.85Å; D430-L432 VanDerWaalsContact C-N 3.33Å; D430-R434 IonicContact OD1-NH2 2.72Å; D430-K457 PolarHBondContact O-NZ 2.67Å
431	L	97.5	Very high	94.4	Very high	38 Å²	38	59.6 Å²	59.6	20%	0.199	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-72.8	-27.9	168.1	-55.7	175.8	0	0	0	111.2	F397 F428 G429 L433 R456 K457 I458	F397-L431 HydrophobicContact CD2-CD1 4.34Å; F397-L431 HydrophobicContact CD2-CD2 4.13Å; F397-L431 HydrophobicContact CE2-CB 4.36Å; F397-L431 HydrophobicContact CE2-CD1 4.22Å; F397-L431 HydrophobicContact CE2-CD2 4.01Å; F397-L431 HydrophobicContact CE2-CG 4.43Å; F428-L431 HydrophobicContact CB-CB 4.25Å; F428-L431 VanDerWaalsContact O-CB 3.29Å; F428-L431 WeakPolarHBondContact O-CB 3.4Å; F428-L431 WeakPolarHBondContact O-CG 3.22Å; F428-L431 PolarHBondContact O-N 3.49Å; G429-L431 PolarHBondContact O-N 2.94Å; L431-L433 PolarHBondContact O-N 2.92Å; L431-R456 HydrophobicContact CD2-CB 4.35Å; L431-R456 WeakPolarHBondContact CD2-O 3.34Å; L431-K457 CarbonylContact O-C 3.51Å; L431-K457 WeakPolarHBondContact O-CA 3.38Å; L431-I458 HydrophobicContact CB-CD1 4.07Å; L431-I458 HydrophobicContact CB-CG1 4.33Å; L431-I458 PolarHBondContact O-N 3.46Å
432	L	97.8	Very high	94.2	Very high	4 Å²	4	61.3 Å²	61.3	2%	0.021	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-75.8	125.4	178	-178.9	62.6	0	0	0	110.8	C424 F428 G429 D430 R434 I460 M614	C424-L432 HydrophobicContact CB-CD2 4.14Å; F428-L432 HydrophobicContact CB-CB 3.93Å; F428-L432 HydrophobicContact CD2-CD1 4.5Å; G429-L432 WeakPolarHBondContact O-CB 3.18Å; G429-L432 PolarHBondContact O-N 3.35Å; G429-L432 VanDerWaalsContact O-N 3.07Å; D430-L432 VanDerWaalsContact C-N 3.33Å; L432-R434 VanDerWaalsContact C-N 3.32Å; L432-R434 HydrophobicContact CB-CG 4.3Å; L432-R434 HydrophobicContact CD2-CG 3.68Å; L432-R434 HydrophobicContact CG-CG 3.77Å; L432-R434 PolarHBondContact O-N 3.29Å; L432-I460 HydrophobicContact CD1-CD1 3.76Å; L432-I460 HydrophobicContact CD1-CG1 3.96Å; L432-M614 HydrophobicContact CD2-CE 4.36Å; L432-M614 HydrophobicContact CD2-CG 4.49Å; L432-M614 HydrophobicContact CD2-SD 3.93Å
433	L	96.5	Very high	94	Very high	7 Å²	7	63.8 Å²	63.8	4%	0.037	32%	0.322	C	S	.	.			trans	-78.5	82.9	172.6	-170.7	65.4	0	0	0	110.1	L431 Q435 L437 L454 K457 I458 L459 N616 Y617	L431-L433 PolarHBondContact O-N 2.92Å; L433-Q435 WeakPolarHBondContact CD1-O 3.49Å; L433-L437 HydrophobicContact CD1-CD2 4.01Å; L433-L454 HydrophobicContact CD1-CD2 4.5Å; L433-L454 HydrophobicContact CD2-CD2 3.57Å; L433-K457 HydrophobicContact CB-CB 4.37Å; L433-K457 HydrophobicContact CD1-CD 4.38Å; L433-K457 HydrophobicContact CD1-CG 4.44Å; L433-I458 PolarHBondContact N-O 3.41Å; L433-L459 HydrophobicContact CD2-CD1 4.17Å; L433-L459 HydrophobicContact CD2-CD2 4.41Å; L433-L459 HydrophobicContact CD2-CG 3.93Å; L433-N616 WeakPolarHBondContact CD2-OD1 3.44Å; L433-N616 PolarHBondContact O-ND2 3.4Å; L433-Y617 HydrophobicContact CD2-CD2 3.74Å; L433-Y617 HydrophobicContact CD2-CE2 3.93Å
434	R	90	Very high	93.7	Very high	96 Å²	96	66.3 Å²	66.3	36%	0.362	34%	0.342	S	S	.	.			trans	-73.2	-20.3	-177	-72.6	-177.8	-81.8	178.6	-2.4	114.7	E425 D430 L432	E425-R434 IonicContact OE1-CZ 2.72Å; E425-R434 IonicContact OE1-NH1 3.87Å; E425-R434 PolarHBondContact OE1-NH1 2.99Å; D430-R434 IonicContact OD1-NH2 2.72Å; L432-R434 VanDerWaalsContact C-N 3.32Å; L432-R434 HydrophobicContact CB-CG 4.3Å; L432-R434 HydrophobicContact CD2-CG 3.68Å; L432-R434 HydrophobicContact CG-CG 3.77Å; L432-R434 PolarHBondContact O-N 3.29Å
435	Q	90.8	Very high	93.5	Very high	150 Å²	150	68 Å²	68	70%	0.701	36%	0.359	S	S	*	.	S	Bend	trans	-144.4	157.4	-178.2	-69.8	-177	-12.7	0	0	110.5	L433	L433-Q435 WeakPolarHBondContact CD1-O 3.49Å
436	P	92.8	Very high	93.4	Very high	58 Å²	58	70 Å²	70	38%	0.377	37%	0.368	S	S	.	.			trans	-57.6	152.6	169	-23.4	35.6	0	0	0	112.5	M442 N616 Y617	P436-M442 HydrophobicContact CB-CG 4.21Å; P436-M442 HydrophobicContact CG-CG 3.7Å; P436-M442 HydrophobicContact CG-SD 3.65Å; P436-N616 HydrophobicContact CG-CB 4.36Å; P436-Y617 WeakPolarHBondContact CA-OH 3.47Å; P436-Y617 WeakPolarHBondContact CB-OH 3.46Å
437	L	93.8	Very high	93.4	Very high	47 Å²	47	66.8 Å²	66.8	25%	0.246	36%	0.358	C	S	.	.			trans	-74.8	140.4	169.7	-53.7	179.7	0	0	0	109.8	L433 N439 Y440 P449 D453 L454 Y617	L433-L437 HydrophobicContact CD1-CD2 4.01Å; L437-N439 VanDerWaalsContact C-N 3.26Å; L437-N439 PolarHBondContact O-N 2.81Å; L437-Y440 HydrophobicContact CB-CD2 4.23Å; L437-Y440 HydrophobicContact CD1-CD2 4.09Å; L437-Y440 CarbonylContact O-C 3.37Å; L437-Y440 PolarHBondContact O-N 3.18Å; L437-P449 HydrophobicContact CD1-CB 4.17Å; L437-P449 HydrophobicContact CD1-CG 4.24Å; L437-D453 HydrophobicContact CD1-CB 4.02Å; L437-L454 HydrophobicContact CD1-CD2 3.99Å; L437-Y617 HydrophobicContact CG-CE2 4.42Å; L437-Y617 PolarHBondContact N-OH 3.04Å
438	E	89.5	Confident	93.4	Very high	193 Å²	193	65.3 Å²	65.3	90%	0.902	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-37.4	-176.5	-61.6	178.8	170.9	0	0	113.5	Y440	E438-Y440 VanDerWaalsContact C-N 3.27Å; E438-Y440 PolarHBondContact O-N 3.14Å
439	N	90.6	Very high	93.5	Very high	141 Å²	141	65 Å²	65	75%	0.754	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-8.3	179.1	-65.7	-25.3	0	0	0	114.2	L437	L437-N439 VanDerWaalsContact C-N 3.26Å; L437-N439 PolarHBondContact O-N 2.81Å
440	Y	93.2	Very high	93.6	Very high	48 Å²	48	64 Å²	64	19%	0.188	34%	0.338	C	S	.	.	S	Bend	trans	-134.4	67.2	-174	-65.5	-79.1	0	0	0	110.6	L437 E438 P449 D453 Y617	L437-Y440 HydrophobicContact CB-CD2 4.23Å; L437-Y440 HydrophobicContact CD1-CD2 4.09Å; L437-Y440 CarbonylContact O-C 3.37Å; L437-Y440 PolarHBondContact O-N 3.18Å; E438-Y440 VanDerWaalsContact C-N 3.27Å; E438-Y440 PolarHBondContact O-N 3.14Å; Y440-P449 HydrophobicContact CD1-CB 4.33Å; Y440-P449 HydrophobicContact CD1-CG 4.22Å; Y440-P449 HydrophobicContact CD2-CB 3.81Å; Y440-P449 HydrophobicContact CD2-CG 3.91Å; Y440-P449 HydrophobicContact CE1-CB 4.41Å; Y440-P449 HydrophobicContact CE2-CB 3.88Å; Y440-P449 HydrophobicContact CE2-CG 4.47Å; Y440-P449 HydrophobicContact CG-CB 4.03Å; Y440-P449 HydrophobicContact CG-CG 3.75Å; Y440-D453 HydrophobicContact CE2-CB 4.2Å; Y440-D453 WeakPolarHBondContact CE2-OD2 3.15Å; Y440-D453 PolarHBondContact OH-OD2 2.68Å; Y440-Y617 WeakPolarHBondContact CB-OH 3.44Å; Y440-Y617 WeakPolarHBondContact O-CE1 3.39Å; Y440-Y617 PolarHBondContact O-OH 3.17Å
441	P	92.6	Very high	93.7	Very high	46 Å²	46	57.8 Å²	57.8	30%	0.299	31%	0.305	S	S	.	.			trans	-62.9	156.3	179.7	29.3	-36.7	0	0	0	111.8	D443	P441-D443 WeakPolarHBondContact CB-OD2 3.49Å; P441-D443 PolarHBondContact O-N 3.07Å
442	M	90.4	Very high	93.7	Very high	37 Å²	37	57.8 Å²	57.8	18%	0.182	31%	0.305	C	S	.	.	S	Bend	trans	-81	39.3	-179.2	-69	-171.9	70.7	0	0	113.1	P436 N616 H636	P436-M442 HydrophobicContact CB-CG 4.21Å; P436-M442 HydrophobicContact CG-CG 3.7Å; P436-M442 HydrophobicContact CG-SD 3.65Å; M442-N616 HydrophobicContact CE-CB 4.45Å; M442-N616 VanDerWaalsContact CE-O 3.29Å; M442-N616 WeakPolarHBondContact CE-O 3.37Å; M442-N616 HydrophobicContact SD-CB 3.85Å; M442-H636 HydrophobicContact CE-CB 4.18Å; M442-H636 WeakPolarHBondContact CE-CD2 3.41Å; M442-H636 PolarHBondContact O-CE1 3.43Å; M442-H636 PolarHBondContact O-ND1 3.25Å
443	D	89.9	Confident	93.7	Very high	88 Å²	88	60.8 Å²	60.8	47%	0.471	32%	0.321	S	S	.	.			trans	-95.6	155.7	-177.1	-67.6	-46.4	0	0	0	112.3	P441 H446	P441-D443 WeakPolarHBondContact CB-OD2 3.49Å; P441-D443 PolarHBondContact O-N 3.07Å; D443-H446 PolarHBondContact O-N 2.68Å
444	P	92.1	Very high	93.8	Very high	83 Å²	83	60.5 Å²	60.5	54%	0.539	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	142.9	170.9	-24.6	34.3	0	0	0	112.4	H446 I634	P444-H446 PolarHBondContact O-N 2.74Å; P444-I634 HydrophobicContact CG-CG1 4.35Å
445	G	91.3	Very high	94.2	Very high	35 Å²	35	60.1 Å²	60.1	36%	0.361	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.3	-13.5	-179.9	0	0	0	0	0	116.2	N633	G445-N633 PolarHBondContact N-O 2.71Å
446	H	93.6	Very high	94.5	Very high	83 Å²	83	59.2 Å²	59.2	38%	0.384	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-76.9	132	176	-74.4	77.9	0	0	0	111	D443 P444 H635	D443-H446 PolarHBondContact O-N 2.68Å; P444-H446 PolarHBondContact O-N 2.74Å; H446-H635 VanDerWaalsContact O-CB 3.31Å; H446-H635 WeakPolarHBondContact O-CB 3.38Å
447	P	94.6	Very high	94.8	Very high	57 Å²	57	59.3 Å²	59.3	37%	0.37	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-71.9	158.8	179.5	31.4	-35.8	0	0	0	112	P318	P318-P447 HydrophobicContact CB-CB 4.38Å; P318-P447 HydrophobicContact CG-CB 3.97Å
448	L	97.1	Very high	95	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.01	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-60.9	146.9	167.1	-66.3	170.1	0	0	0	110.9	P318 L319 A320 Y617 H635 H636 M665	P318-L448 WeakPolarHBondContact CA-O 3.24Å; P318-L448 HydrophobicContact CB-CB 4.38Å; P318-L448 VanDerWaalsContact CB-O 3.31Å; P318-L448 WeakPolarHBondContact CB-O 3.47Å; L319-L448 HydrophobicContact CB-CB 4.05Å; L319-L448 HydrophobicContact CB-CD1 3.96Å; A320-L448 HydrophobicContact CB-CD1 3.91Å; L448-Y617 HydrophobicContact CD2-CD1 4.26Å; L448-Y617 WeakPolarHBondContact CD2-O 3.42Å; L448-H635 HydrophobicContact CG-CB 4.34Å; L448-H636 HydrophobicContact CD2-CB 4.45Å; L448-M665 HydrophobicContact CD1-CE 3.94Å; L448-M665 HydrophobicContact CD1-CG 3.84Å; L448-M665 HydrophobicContact CD1-SD 4.13Å; L448-M665 HydrophobicContact CD2-CE 4.44Å
449	P	97.7	Very high	95.4	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-59	164.2	169.2	-16.8	26.9	0	0	0	112.4	L319 L437 Y440 D453 L454 Y617	L319-P449 PolarHBondContact N-O 2.89Å; L437-P449 HydrophobicContact CD1-CB 4.17Å; L437-P449 HydrophobicContact CD1-CG 4.24Å; Y440-P449 HydrophobicContact CD1-CB 4.33Å; Y440-P449 HydrophobicContact CD1-CG 4.22Å; Y440-P449 HydrophobicContact CD2-CB 3.81Å; Y440-P449 HydrophobicContact CD2-CG 3.91Å; Y440-P449 HydrophobicContact CE1-CB 4.41Å; Y440-P449 HydrophobicContact CE2-CB 3.88Å; Y440-P449 HydrophobicContact CE2-CG 4.47Å; Y440-P449 HydrophobicContact CG-CB 4.03Å; Y440-P449 HydrophobicContact CG-CG 3.75Å; P449-D453 HydrophobicContact CB-CB 4.01Å; P449-L454 HydrophobicContact CB-CD1 3.84Å; P449-L454 HydrophobicContact CB-CD2 4.43Å; P449-L454 HydrophobicContact CB-CG 3.91Å; P449-L454 HydrophobicContact CG-CD1 4.17Å; P449-L454 HydrophobicContact CG-CG 4.43Å; P449-Y617 VanDerWaalsContact CD-CD1 3.48Å; P449-Y617 HydrophobicContact CG-CD1 3.96Å; P449-Y617 HydrophobicContact CG-CD2 3.98Å; P449-Y617 HydrophobicContact CG-CE1 3.7Å; P449-Y617 HydrophobicContact CG-CE2 3.71Å; P449-Y617 HydrophobicContact CG-CG 4.09Å
450	S	98.2	Very high	95.7	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.007	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-81.1	161.5	175.8	73.3	0	0	0	0	113.5	D316 Q317 N452 D453 L454	D316-S450 VanDerWaalsContact C-CB 3.44Å; D316-S450 WeakPolarHBondContact O-CB 2.79Å; Q317-S450 WeakPolarHBondContact O-CA 3.45Å; Q317-S450 WeakPolarHBondContact O-CB 3.31Å; S450-N452 PolarHBondContact O-N 3.06Å; S450-N452 PolarHBondContact OG-N 3.09Å; S450-D453 VanDerWaalsContact CB-OD2 3.3Å; S450-D453 WeakPolarHBondContact CB-OD2 3.01Å; S450-D453 PolarHBondContact N-OD2 2.77Å; S450-D453 PolarHBondContact O-N 2.76Å; S450-D453 VanDerWaalsContact OG-CG 3.23Å; S450-D453 PolarHBondContact OG-N 3.46Å; S450-D453 PolarHBondContact OG-OD2 3.25Å; S450-L454 PolarHBondContact O-N 3.12Å
451	P	98.2	Very high	95.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-32	165.4	-24.5	33.2	0	0	0	113.2	M315 Q317 L319 Y322 Y402 P403 K455 Y719	M315-P451 HydrophobicContact CE-CB 3.87Å; M315-P451 HydrophobicContact CE-CG 4.21Å; M315-P451 WeakPolarHBondContact O-CD 3.46Å; Q317-P451 WeakPolarHBondContact O-CD 3.48Å; L319-P451 HydrophobicContact CD2-CG 4.22Å; Y322-P451 HydrophobicContact CD1-CG 4.49Å; Y322-P451 HydrophobicContact CD2-CG 3.72Å; Y322-P451 HydrophobicContact CE1-CG 4.31Å; Y322-P451 HydrophobicContact CE2-CG 3.49Å; Y322-P451 VanDerWaalsContact CE2-CG 3.49Å; Y322-P451 HydrophobicContact CG-CG 4.25Å; Y402-P451 HydrophobicContact CD1-CB 3.47Å; Y402-P451 VanDerWaalsContact CD1-CB 3.47Å; Y402-P451 WeakPolarHBondContact CD1-O 3.26Å; Y402-P451 HydrophobicContact CE1-CB 3.84Å; P403-P451 WeakPolarHBondContact CD-O 3.44Å; P451-K455 PolarHBondContact O-N 2.81Å; P451-Y719 HydrophobicContact CG-CD1 4.16Å; P451-Y719 HydrophobicContact CG-CE1 4.42Å
452	N	97.9	Very high	96	Very high	37 Å²	37	38 Å²	38	20%	0.198	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-45.1	175.3	-87.7	-10.5	0	0	0	112.9	M315 D316 Y402 S450 L454 K455	M315-N452 WeakPolarHBondContact CB-OD1 3.37Å; M315-N452 WeakPolarHBondContact O-CB 3.4Å; M315-N452 PolarHBondContact O-N 3.45Å; M315-N452 VanDerWaalsContact O-N 3.11Å; D316-N452 WeakPolarHBondContact OD1-CB 3.32Å; D316-N452 PolarHBondContact OD1-ND2 2.91Å; D316-N452 PolarHBondContact OD2-ND2 2.93Å; Y402-N452 VanDerWaalsContact CE1-OD1 3.32Å; Y402-N452 WeakPolarHBondContact CE1-OD1 3.22Å; Y402-N452 PolarHBondContact OH-OD1 2.88Å; S450-N452 PolarHBondContact O-N 3.06Å; S450-N452 PolarHBondContact OG-N 3.09Å; N452-L454 PolarHBondContact O-N 3.23Å; N452-K455 WeakPolarHBondContact O-CG 3.25Å; N452-K455 PolarHBondContact O-N 2.93Å; N452-K455 WeakPolarHBondContact OD1-CE 3.5Å; N452-K455 PolarHBondContact OD1-NZ 2.87Å
453	D	97.8	Very high	96	Very high	68 Å²	68	39.6 Å²	39.6	36%	0.364	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-30.9	176.8	-66.1	-63.9	0	0	0	112.4	L437 Y440 P449 S450	L437-D453 HydrophobicContact CD1-CB 4.02Å; Y440-D453 HydrophobicContact CE2-CB 4.2Å; Y440-D453 WeakPolarHBondContact CE2-OD2 3.15Å; Y440-D453 PolarHBondContact OH-OD2 2.68Å; P449-D453 HydrophobicContact CB-CB 4.01Å; S450-D453 VanDerWaalsContact CB-OD2 3.3Å; S450-D453 WeakPolarHBondContact CB-OD2 3.01Å; S450-D453 PolarHBondContact N-OD2 2.77Å; S450-D453 PolarHBondContact O-N 2.76Å; S450-D453 VanDerWaalsContact OG-CG 3.23Å; S450-D453 PolarHBondContact OG-N 3.46Å; S450-D453 PolarHBondContact OG-OD2 3.25Å
454	L	97.8	Very high	95.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	18.9	-175	-66.8	173.4	0	0	0	113.3	L319 P403 L433 L437 P449 S450 N452 R456 K457 L459	L319-L454 HydrophobicContact CD1-CD1 3.49Å; L319-L454 VanDerWaalsContact CD1-CD1 3.49Å; L319-L454 HydrophobicContact CG-CD1 4.21Å; P403-L454 HydrophobicContact CB-CB 3.95Å; P403-L454 WeakPolarHBondContact CB-O 3.33Å; P403-L454 WeakPolarHBondContact CD-O 3.45Å; P403-L454 HydrophobicContact CG-CB 3.73Å; L433-L454 HydrophobicContact CD1-CD2 4.5Å; L433-L454 HydrophobicContact CD2-CD2 3.57Å; L437-L454 HydrophobicContact CD1-CD2 3.99Å; P449-L454 HydrophobicContact CB-CD1 3.84Å; P449-L454 HydrophobicContact CB-CD2 4.43Å; P449-L454 HydrophobicContact CB-CG 3.91Å; P449-L454 HydrophobicContact CG-CD1 4.17Å; P449-L454 HydrophobicContact CG-CG 4.43Å; S450-L454 PolarHBondContact O-N 3.12Å; N452-L454 PolarHBondContact O-N 3.23Å; L454-R456 PolarHBondContact O-N 3.28Å; L454-K457 WeakPolarHBondContact O-CB 3.28Å; L454-K457 PolarHBondContact O-N 2.73Å; L454-K457 VanDerWaalsContact O-N 3.1Å; L454-L459 HydrophobicContact CD1-CD2 4.36Å
455	K	97.7	Very high	95.7	Very high	88 Å²	88	36.3 Å²	36.3	38%	0.383	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	132.2	176	-88.3	172.8	178.4	163.3	0	112	D401 Y402 P451 N452 K457	D401-K455 CarbonylContact O-C 3.57Å; D401-K455 WeakPolarHBondContact O-CA 3.35Å; Y402-K455 HydrophobicContact CD1-CG 4.38Å; Y402-K455 VanDerWaalsContact CE1-CE 3.42Å; Y402-K455 HydrophobicContact CE1-CG 4.31Å; Y402-K455 VanDerWaalsContact CZ-CE 3.44Å; Y402-K455 WeakPolarHBondContact OH-CE 3.23Å; Y402-K455 PolarHBondContact OH-NZ 2.75Å; P451-K455 PolarHBondContact O-N 2.81Å; N452-K455 WeakPolarHBondContact O-CG 3.25Å; N452-K455 PolarHBondContact O-N 2.93Å; N452-K455 WeakPolarHBondContact OD1-CE 3.5Å; N452-K455 PolarHBondContact OD1-NZ 2.87Å; K455-K457 PolarHBondContact O-N 2.92Å
456	R	97.8	Very high	95.4	Very high	131 Å²	131	42.2 Å²	42.2	49%	0.494	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	28	-178.6	-56	169.5	68.6	99.6	-4.1	113.5	F397 D401 L431 L454	F397-R456 HydrophobicContact CD1-CB 4.49Å; F397-R456 HydrophobicContact CD1-CG 4.44Å; F397-R456 HydrophobicContact CD2-CB 4.41Å; F397-R456 HydrophobicContact CG-CB 4.4Å; F397-R456 HydrophobicContact CG-CG 4.32Å; F397-R456 VanDerWaalsContact CZ-C 3.44Å; D401-R456 HydrophobicContact CB-CG 4.12Å; D401-R456 PolarHBondContact O-N 3.31Å; D401-R456 VanDerWaalsContact OD1-CD 3.25Å; D401-R456 WeakPolarHBondContact OD1-CD 3.44Å; D401-R456 VanDerWaalsContact OD1-CG 3.27Å; D401-R456 WeakPolarHBondContact OD1-CG 3.47Å; D401-R456 IonicContact OD1-CZ 2.68Å; D401-R456 IonicContact OD1-NE 3.15Å; D401-R456 IonicContact OD1-NH1 3.38Å; D401-R456 PolarHBondContact OD1-NH1 2.84Å; L431-R456 HydrophobicContact CD2-CB 4.35Å; L431-R456 WeakPolarHBondContact CD2-O 3.34Å; L454-R456 PolarHBondContact O-N 3.28Å
457	K	98.4	Very high	94.7	Very high	61 Å²	61	42.5 Å²	42.5	27%	0.265	20%	0.201	S	C	.	.			trans	-105.5	143.6	174	-61.9	-61.9	178.5	177.3	0	113	P403 V404 D430 L431 L433 L454 K455 L459	P403-K457 VanDerWaalsContact CA-O 3.24Å; P403-K457 WeakPolarHBondContact CA-O 3.22Å; P403-K457 WeakPolarHBondContact CB-O 3.46Å; V404-K457 PolarHBondContact N-O 2.86Å; D430-K457 PolarHBondContact O-NZ 2.67Å; L431-K457 CarbonylContact O-C 3.51Å; L431-K457 WeakPolarHBondContact O-CA 3.38Å; L433-K457 HydrophobicContact CB-CB 4.37Å; L433-K457 HydrophobicContact CD1-CD 4.38Å; L433-K457 HydrophobicContact CD1-CG 4.44Å; L454-K457 WeakPolarHBondContact O-CB 3.28Å; L454-K457 PolarHBondContact O-N 2.73Å; L454-K457 VanDerWaalsContact O-N 3.1Å; K455-K457 PolarHBondContact O-N 2.92Å; K457-L459 HydrophobicContact CB-CD1 4.3Å
458	I	98.6	Very high	94	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	123.3	175.4	-58.4	178.5	0	0	0	107.2	F397 V404 L406 F428 L431 L433	F397-I458 HydrophobicContact CE2-CD1 4.09Å; F397-I458 HydrophobicContact CE2-CG1 3.82Å; F397-I458 HydrophobicContact CZ-CD1 4.41Å; F397-I458 HydrophobicContact CZ-CG1 3.69Å; V404-I458 CarbonylContact O-C 3.55Å; V404-I458 WeakPolarHBondContact O-CA 3.46Å; L406-I458 HydrophobicContact CD1-CG2 3.62Å; L406-I458 HydrophobicContact CD2-CG2 4.36Å; L406-I458 HydrophobicContact CG-CG2 3.7Å; F428-I458 HydrophobicContact CB-CD1 4.37Å; F428-I458 HydrophobicContact CD1-CD1 3.44Å; F428-I458 VanDerWaalsContact CD1-CD1 3.44Å; F428-I458 HydrophobicContact CD2-CD1 4.21Å; F428-I458 HydrophobicContact CD2-CG2 4.37Å; F428-I458 HydrophobicContact CE1-CD1 3.58Å; F428-I458 HydrophobicContact CE2-CD1 4.32Å; F428-I458 HydrophobicContact CE2-CG2 4.11Å; F428-I458 HydrophobicContact CG-CD1 3.78Å; F428-I458 HydrophobicContact CZ-CD1 4.01Å; F428-I458 HydrophobicContact CZ-CG2 4.42Å; L431-I458 HydrophobicContact CB-CD1 4.07Å; L431-I458 HydrophobicContact CB-CG1 4.33Å; L431-I458 PolarHBondContact O-N 3.46Å; L433-I458 PolarHBondContact N-O 3.41Å
459	L	98.3	Very high	93.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	134.6	-180	-72.9	73.9	0	0	0	109.2	L319 P403 V404 I405 L406 L433 L454 K457	L319-L459 HydrophobicContact CD1-CD2 4.5Å; P403-L459 HydrophobicContact CB-CD1 4.02Å; V404-L459 PolarHBondContact O-N 3.13Å; I405-L459 HydrophobicContact CG1-CB 4.46Å; L406-L459 PolarHBondContact N-O 2.81Å; L433-L459 HydrophobicContact CD2-CD1 4.17Å; L433-L459 HydrophobicContact CD2-CD2 4.41Å; L433-L459 HydrophobicContact CD2-CG 3.93Å; L454-L459 HydrophobicContact CD1-CD2 4.36Å; K457-L459 HydrophobicContact CB-CD1 4.3Å
460	I	97.6	Very high	92.6	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	122	174.1	-64.2	178.4	0	0	0	109.4	F408 C424 L432 N462 M614 V615	F408-I460 HydrophobicContact CD2-CG2 4.15Å; F408-I460 HydrophobicContact CE2-CD1 4.47Å; F408-I460 HydrophobicContact CE2-CG2 4.19Å; F408-I460 HydrophobicContact CG-CG2 4.48Å; F408-I460 HydrophobicContact CZ-CD1 4.43Å; C424-I460 HydrophobicContact CB-CD1 4.19Å; L432-I460 HydrophobicContact CD1-CD1 3.76Å; L432-I460 HydrophobicContact CD1-CG1 3.96Å; I460-N462 HydrophobicContact CG2-CB 3.91Å; I460-M614 HydrophobicContact CD1-CB 4.17Å; I460-M614 HydrophobicContact CD1-SD 4.17Å; I460-V615 HydrophobicContact CG2-CG2 4.39Å
461	K	96.9	Very high	91.8	Very high	20 Å²	20	55.9 Å²	55.9	9%	0.087	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	96.3	167.7	172	-109.6	176.8	-166	0	107.8	I405 L406 S407 F408 A618 P620 M638 S640	I405-K461 HydrophobicContact CG2-CB 4.12Å; L406-K461 PolarHBondContact O-N 2.9Å; S407-K461 WeakPolarHBondContact OG-CD 3.49Å; S407-K461 PolarHBondContact OG-NZ 3.33Å; F408-K461 PolarHBondContact N-O 3.08Å; K461-A618 HydrophobicContact CB-CB 4.01Å; K461-A618 WeakPolarHBondContact CB-O 3.27Å; K461-A618 WeakPolarHBondContact CG-O 3.44Å; K461-P620 HydrophobicContact CG-CB 4.37Å; K461-P620 HydrophobicContact CG-CG 4.29Å; K461-M638 HydrophobicContact CG-CE 4.49Å; K461-M638 HydrophobicContact CG-SD 4.07Å; K461-S640 WeakPolarHBondContact CE-OG 3.31Å
462	N	94.3	Very high	91.1	Very high	6 Å²	6	64.9 Å²	64.9	3%	0.032	30%	0.296	C	S	.	.			trans	-140.7	162.9	173.8	-169.5	9.3	0	0	0	108.7	F408 I460 L611 V615 P620	F408-N462 HydrophobicContact CB-CB 4.19Å; I460-N462 HydrophobicContact CG2-CB 3.91Å; N462-L611 VanDerWaalsContact ND2-CD2 3.31Å; N462-L611 WeakPolarHBondContact ND2-CD2 3.49Å; N462-V615 HydrophobicContact CB-CG2 4.08Å; N462-V615 WeakPolarHBondContact O-CG1 3.47Å; N462-V615 WeakPolarHBondContact O-CG2 3.5Å; N462-P620 VanDerWaalsContact C-CG 3.44Å; N462-P620 WeakPolarHBondContact O-CD 3Å; N462-P620 VanDerWaalsContact O-CG 3.28Å; N462-P620 WeakPolarHBondContact O-CG 3.39Å
463	K	90	Very high	90.4	Very high	72 Å²	72	66.5 Å²	66.5	31%	0.313	30%	0.302	S	S	.	.			trans	-59	145.1	174.9	-63.4	-178.5	-169.2	174.3	0	110.7	A603 T604 I607	K463-A603 PolarHBondContact NZ-O 2.67Å; K463-T604 WeakPolarHBondContact CD-O 3.35Å; K463-T604 WeakPolarHBondContact CE-O 3.37Å; K463-T604 PolarHBondContact NZ-O 2.85Å; K463-I607 HydrophobicContact CB-CD1 3.96Å; K463-I607 HydrophobicContact CB-CG1 3.86Å
464	R	89.1	Confident	89.6	Confident	68 Å²	68	64.9 Å²	64.9	26%	0.257	29%	0.293	S	S	.	.			trans	-119.3	144.9	178.1	-161.2	-175.1	176.9	-178.8	-2.1	111.2	E470 S612 V615 Q619	R464-E470 WeakPolarHBondContact CG-OE2 3.48Å; R464-E470 IonicContact CZ-OE1 2.69Å; R464-E470 IonicContact CZ-OE2 2.68Å; R464-E470 IonicContact NE-OE1 2.68Å; R464-E470 PolarHBondContact NE-OE1 2.88Å; R464-E470 IonicContact NE-OE2 2.59Å; R464-E470 PolarHBondContact NE-OE2 2.79Å; R464-E470 IonicContact NH2-OE1 2.93Å; R464-E470 PolarHBondContact NH2-OE1 2.89Å; R464-E470 IonicContact NH2-OE2 2.67Å; R464-S612 WeakPolarHBondContact CG-OG 3.22Å; R464-V615 HydrophobicContact CB-CB 4.29Å; R464-V615 HydrophobicContact CB-CG1 4.32Å; R464-V615 HydrophobicContact CG-CB 4.32Å; R464-V615 PolarHBondContact NH1-O 2.88Å; R464-Q619 HydrophobicContact CB-CG 4.21Å
465	L	87.1	Confident	88.8	Confident	33 Å²	33	68.7 Å²	68.7	17%	0.173	31%	0.311	C	S	.	.			trans	-70.1	163.4	169.9	-61.5	174.1	0	0	0	111.1	E470 I607 P609 S612	L465-E470 HydrophobicContact CB-CB 4.1Å; L465-I607 HydrophobicContact CD2-CB 4.3Å; L465-I607 HydrophobicContact CG-CB 4.48Å; L465-P609 HydrophobicContact CD1-CB 4.22Å; L465-S612 WeakPolarHBondContact CB-OG 3.46Å; L465-S612 PolarHBondContact N-OG 3.47Å
466	K	84	Confident	87.8	Confident	160 Å²	160	66.8 Å²	66.8	70%	0.696	31%	0.312	S	S	*	.			trans	-63.3	138.3	166.7	-67.5	-179.6	179.8	177.8	0	109.2	E468 V469 E470	K466-E468 VanDerWaalsContact C-N 3.3Å; K466-E468 PolarHBondContact O-N 3.41Å; K466-E468 VanDerWaalsContact O-N 3.17Å; K466-V469 HydrophobicContact CB-CB 4.43Å; K466-V469 HydrophobicContact CB-CG2 4.15Å; K466-V469 WeakPolarHBondContact O-CA 3.39Å; K466-V469 WeakPolarHBondContact O-CB 3.14Å; K466-V469 PolarHBondContact O-N 3.11Å; K466-E470 PolarHBondContact O-N 3.04Å
467	P	79.9	Confident	86.7	Confident	88 Å²	88	62.2 Å²	62.2	57%	0.571	30%	0.297	S	S	*	.	H	α-helix	trans	-53	-40.3	-175.5	-30.6	36.4	0	0	0	115.1	V469 E470 Q471	P467-V469 VanDerWaalsContact C-N 3.32Å; P467-V469 PolarHBondContact O-N 2.79Å; P467-E470 PolarHBondContact O-N 2.95Å; P467-Q471 WeakPolarHBondContact O-CB 3.33Å; P467-Q471 PolarHBondContact O-N 3.32Å
468	E	80.6	Confident	85.6	Confident	152 Å²	152	64.3 Å²	64.3	71%	0.71	31%	0.306	S	S	*	.	H	α-helix	trans	-62.1	-37.1	176.6	-62.8	167.4	-162.2	0	0	113.1	K466 R472	K466-E468 VanDerWaalsContact C-N 3.3Å; K466-E468 PolarHBondContact O-N 3.41Å; K466-E468 VanDerWaalsContact O-N 3.17Å; E468-R472 VanDerWaalsContact O-CB 3.3Å; E468-R472 WeakPolarHBondContact O-CB 3.47Å; E468-R472 PolarHBondContact O-N 3.04Å; E468-R472 VanDerWaalsContact O-N 3.09Å
469	V	81.9	Confident	84.5	Confident	53 Å²	53	70.5 Å²	70.5	32%	0.321	33%	0.333	S	S	.	.	H	α-helix	trans	-78.5	-41.8	179.4	-179.4	0	0	0	0	110.1	K466 P467 R472 Q473	K466-V469 HydrophobicContact CB-CB 4.43Å; K466-V469 HydrophobicContact CB-CG2 4.15Å; K466-V469 WeakPolarHBondContact O-CA 3.39Å; K466-V469 WeakPolarHBondContact O-CB 3.14Å; K466-V469 PolarHBondContact O-N 3.11Å; P467-V469 VanDerWaalsContact C-N 3.32Å; P467-V469 PolarHBondContact O-N 2.79Å; V469-R472 PolarHBondContact O-N 3.09Å; V469-Q473 HydrophobicContact CG1-CG 4.39Å; V469-Q473 WeakPolarHBondContact O-CB 3.34Å; V469-Q473 WeakPolarHBondContact O-CG 3.43Å; V469-Q473 PolarHBondContact O-N 2.96Å
470	E	83.4	Confident	82.9	Confident	17 Å²	17	74.3 Å²	74.3	8%	0.079	35%	0.351	C	S	.	.	H	α-helix	trans	-55.1	-52.4	172.7	-171.3	174.2	83.7	0	0	110.5	R464 L465 K466 P467 L474 S612 A613	R464-E470 WeakPolarHBondContact CG-OE2 3.48Å; R464-E470 IonicContact CZ-OE1 2.69Å; R464-E470 IonicContact CZ-OE2 2.68Å; R464-E470 IonicContact NE-OE1 2.68Å; R464-E470 PolarHBondContact NE-OE1 2.88Å; R464-E470 IonicContact NE-OE2 2.59Å; R464-E470 PolarHBondContact NE-OE2 2.79Å; R464-E470 IonicContact NH2-OE1 2.93Å; R464-E470 PolarHBondContact NH2-OE1 2.89Å; R464-E470 IonicContact NH2-OE2 2.67Å; L465-E470 HydrophobicContact CB-CB 4.1Å; K466-E470 PolarHBondContact O-N 3.04Å; P467-E470 PolarHBondContact O-N 2.95Å; E470-L474 WeakPolarHBondContact O-CB 3.48Å; E470-L474 PolarHBondContact O-N 2.75Å; E470-S612 VanDerWaalsContact OE2-C 3.25Å; E470-S612 VanDerWaalsContact OE2-CB 3.28Å; E470-S612 WeakPolarHBondContact OE2-CB 3.37Å; E470-S612 PolarHBondContact OE2-OG 2.86Å; E470-A613 PolarHBondContact OE2-N 3.04Å
471	Q	80.3	Confident	81.5	Confident	119 Å²	119	79.2 Å²	79.2	56%	0.556	38%	0.375	S	S	*	.	H	α-helix	trans	-61.8	-49.5	178	-177.9	173.6	-7.7	0	0	111.9	P467 Q473 L474 E475	P467-Q471 WeakPolarHBondContact O-CB 3.33Å; P467-Q471 PolarHBondContact O-N 3.32Å; Q471-Q473 PolarHBondContact O-N 2.72Å; Q471-L474 PolarHBondContact O-N 2.93Å; Q471-E475 HydrophobicContact CG-CG 4.33Å; Q471-E475 VanDerWaalsContact CG-OE1 3.28Å; Q471-E475 WeakPolarHBondContact CG-OE1 3.23Å; Q471-E475 PolarHBondContact NE2-OE1 2.85Å; Q471-E475 WeakPolarHBondContact O-CB 3.41Å; Q471-E475 WeakPolarHBondContact O-CG 3.41Å; Q471-E475 PolarHBondContact O-N 2.77Å
472	R	83.1	Confident	80.1	Confident	189 Å²	189	85.6 Å²	85.6	71%	0.713	41%	0.405	S	S	*	.	H	α-helix	trans	-58.5	-45.2	-179.2	-172.2	-173.9	-61.4	-179.6	2.4	112.2	E468 V469 A476	E468-R472 VanDerWaalsContact O-CB 3.3Å; E468-R472 WeakPolarHBondContact O-CB 3.47Å; E468-R472 PolarHBondContact O-N 3.04Å; E468-R472 VanDerWaalsContact O-N 3.09Å; V469-R472 PolarHBondContact O-N 3.09Å; R472-A476 WeakPolarHBondContact O-CB 3.5Å; R472-A476 PolarHBondContact O-N 3.29Å; R472-A476 VanDerWaalsContact O-N 3.08Å
473	Q	83.5	Confident	78.7	Confident	72 Å²	72	88.5 Å²	88.5	34%	0.336	43%	0.43	S	S	.	.	H	α-helix	trans	-69.8	-37.9	179	-68.5	-177	13	0	0	112.2	V469 Q471 A476 L477 P609	V469-Q473 HydrophobicContact CG1-CG 4.39Å; V469-Q473 WeakPolarHBondContact O-CB 3.34Å; V469-Q473 WeakPolarHBondContact O-CG 3.43Å; V469-Q473 PolarHBondContact O-N 2.96Å; Q471-Q473 PolarHBondContact O-N 2.72Å; Q473-A476 PolarHBondContact O-N 2.94Å; Q473-L477 WeakPolarHBondContact O-CB 3.45Å; Q473-L477 PolarHBondContact O-N 3.27Å; Q473-P609 HydrophobicContact CB-CB 4.02Å; Q473-P609 HydrophobicContact CB-CG 3.97Å
474	L	81.3	Confident	76.7	Confident	33 Å²	33	87.9 Å²	87.9	17%	0.173	44%	0.444	C	S	.	.	H	α-helix	trans	-73	-33	-179.1	-158.5	153.5	0	0	0	111.8	E470 Q471 K478 P609 A613	E470-L474 WeakPolarHBondContact O-CB 3.48Å; E470-L474 PolarHBondContact O-N 2.75Å; Q471-L474 PolarHBondContact O-N 2.93Å; L474-K478 HydrophobicContact CD2-CD 4.05Å; L474-K478 HydrophobicContact CD2-CG 4.44Å; L474-K478 WeakPolarHBondContact O-CG 3.39Å; L474-K478 PolarHBondContact O-N 2.83Å; L474-P609 HydrophobicContact CB-CB 4.4Å; L474-A613 HydrophobicContact CD1-CB 3.97Å
475	E	81	Confident	74.6	Confident	80 Å²	80	90.5 Å²	90.5	37%	0.374	46%	0.459	S	S	.	.	H	α-helix	trans	-68.5	-40.5	169.1	-75.3	-177.8	-158.6	0	0	113	Q471 K478 K479	Q471-E475 HydrophobicContact CG-CG 4.33Å; Q471-E475 VanDerWaalsContact CG-OE1 3.28Å; Q471-E475 WeakPolarHBondContact CG-OE1 3.23Å; Q471-E475 PolarHBondContact NE2-OE1 2.85Å; Q471-E475 WeakPolarHBondContact O-CB 3.41Å; Q471-E475 WeakPolarHBondContact O-CG 3.41Å; Q471-E475 PolarHBondContact O-N 2.77Å; E475-K478 PolarHBondContact O-N 2.83Å; E475-K479 WeakPolarHBondContact O-CG 3.48Å; E475-K479 PolarHBondContact O-N 3.41Å; E475-K479 VanDerWaalsContact O-N 3.11Å
476	A	77.2	Confident	72.4	Confident	49 Å²	49	95.1 Å²	95.1	41%	0.405	49%	0.489	S	S	.	.	H	α-helix	trans	-63.2	-44.1	175	0	0	0	0	0	111.5	R472 Q473 K479 H480	R472-A476 WeakPolarHBondContact O-CB 3.5Å; R472-A476 PolarHBondContact O-N 3.29Å; R472-A476 VanDerWaalsContact O-N 3.08Å; Q473-A476 PolarHBondContact O-N 2.94Å; A476-K479 PolarHBondContact O-N 2.96Å; A476-H480 PolarHBondContact O-N 3.48Å
477	L	74.3	Confident	70.4	Confident	34 Å²	34	93.8 Å²	93.8	18%	0.178	49%	0.49	C	S	.	.	H	α-helix	trans	-61.8	-44.6	176.1	-175.7	65.7	0	0	0	111.9	Q473 K479 H480 M481 Y610	Q473-L477 WeakPolarHBondContact O-CB 3.45Å; Q473-L477 PolarHBondContact O-N 3.27Å; L477-K479 VanDerWaalsContact C-N 3.35Å; L477-K479 PolarHBondContact O-N 2.99Å; L477-H480 PolarHBondContact O-N 2.94Å; L477-M481 HydrophobicContact CG-SD 4.26Å; L477-M481 WeakPolarHBondContact O-CG 3.48Å; L477-M481 PolarHBondContact O-N 2.91Å; L477-Y610 HydrophobicContact CD2-CD2 3.79Å; L477-Y610 HydrophobicContact CD2-CE2 4.13Å
478	K	76.3	Confident	68.8	Low	105 Å²	105	93.2 Å²	93.2	46%	0.457	49%	0.485	S	S	.	.	H	α-helix	trans	-56.1	-47	174.6	-81.6	173.3	173.6	174.7	0	112	L474 E475 H480 M481 E482	L474-K478 HydrophobicContact CD2-CD 4.05Å; L474-K478 HydrophobicContact CD2-CG 4.44Å; L474-K478 WeakPolarHBondContact O-CG 3.39Å; L474-K478 PolarHBondContact O-N 2.83Å; E475-K478 PolarHBondContact O-N 2.83Å; K478-H480 PolarHBondContact O-N 3.47Å; K478-M481 PolarHBondContact O-N 2.76Å; K478-M481 VanDerWaalsContact O-N 3.15Å; K478-E482 WeakPolarHBondContact O-CB 3.33Å; K478-E482 WeakPolarHBondContact O-CG 3.43Å; K478-E482 PolarHBondContact O-N 3.11Å
479	K	73.9	Confident	66.8	Low	131 Å²	131	89.6 Å²	89.6	57%	0.57	47%	0.474	S	S	*	.	H	α-helix	trans	-60.1	-39.6	180	-73.5	166.4	-178.2	164.8	0	113	E475 A476 L477 A483	E475-K479 WeakPolarHBondContact O-CG 3.48Å; E475-K479 PolarHBondContact O-N 3.41Å; E475-K479 VanDerWaalsContact O-N 3.11Å; A476-K479 PolarHBondContact O-N 2.96Å; L477-K479 VanDerWaalsContact C-N 3.35Å; L477-K479 PolarHBondContact O-N 2.99Å; K479-A483 WeakPolarHBondContact O-CB 3.39Å; K479-A483 PolarHBondContact O-N 3.08Å
480	H	65.8	Low	64.9	Low	79 Å²	79	90.8 Å²	90.8	37%	0.366	49%	0.49	S	S	.	.	H	α-helix	trans	-71.6	-37.6	173.6	-81.5	-79.5	0	0	0	113.1	A476 L477 K478 E482 A483 G484 E485	A476-H480 PolarHBondContact O-N 3.48Å; L477-H480 PolarHBondContact O-N 2.94Å; K478-H480 PolarHBondContact O-N 3.47Å; H480-E482 VanDerWaalsContact C-N 3.3Å; H480-E482 PolarHBondContact O-N 3.4Å; H480-A483 PolarHBondContact O-N 3.11Å; H480-G484 PolarHBondContact O-N 2.82Å; H480-E485 IonicContact CE1-OE2 3.51Å; H480-E485 IonicContact ND1-OE2 3.67Å; H480-E485 PolarHBondContact ND1-OE2 2.64Å
481	M	67.5	Low	63.2	Low	104 Å²	104	94.8 Å²	94.8	51%	0.512	51%	0.51	S	S	.	.	H	α-helix	trans	-63.5	-36.8	174	-68.7	-177.6	74.2	0	0	112.1	L477 K478	L477-M481 HydrophobicContact CG-SD 4.26Å; L477-M481 WeakPolarHBondContact O-CG 3.48Å; L477-M481 PolarHBondContact O-N 2.91Å; K478-M481 PolarHBondContact O-N 2.76Å; K478-M481 VanDerWaalsContact O-N 3.15Å
482	E	67.8	Low	61.6	Low	153 Å²	153	90 Å²	90	72%	0.715	49%	0.489	S	S	*	.	H	α-helix	trans	-73.8	-24.7	175.3	-71.4	165	-164.6	0	0	112.7	K478 H480 G484	K478-E482 WeakPolarHBondContact O-CB 3.33Å; K478-E482 WeakPolarHBondContact O-CG 3.43Å; K478-E482 PolarHBondContact O-N 3.11Å; H480-E482 VanDerWaalsContact C-N 3.3Å; H480-E482 PolarHBondContact O-N 3.4Å; E482-G484 VanDerWaalsContact C-N 3.32Å
483	A	64.3	Low	59.8	Low	67 Å²	67	88.7 Å²	88.7	55%	0.554	49%	0.493	S	S	*	.	H	α-helix	trans	-76.3	-13.3	175.6	0	0	0	0	0	114.2	K479 H480 E485	K479-A483 WeakPolarHBondContact O-CB 3.39Å; K479-A483 PolarHBondContact O-N 3.08Å; H480-A483 PolarHBondContact O-N 3.11Å; A483-E485 VanDerWaalsContact C-N 3.35Å; A483-E485 HydrophobicContact CB-CG 4.41Å; A483-E485 PolarHBondContact O-N 2.96Å
484	G	48.8	Very low	57.7	Low	59 Å²	59	87.2 Å²	87.2	61%	0.608	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	13.9	174.5	0	0	0	0	0	115.6	H480 E482 T486	H480-G484 PolarHBondContact O-N 2.82Å; E482-G484 VanDerWaalsContact C-N 3.32Å; G484-T486 PolarHBondContact O-N 3.31Å
485	E	45.2	Very low	55.3	Low	123 Å²	123	94.1 Å²	94.1	58%	0.575	53%	0.528	S	S	*	.			trans	-75.5	114.4	179.3	-62.3	-178.8	131	0	0	111.2	H480 A483 N487	H480-E485 IonicContact CE1-OE2 3.51Å; H480-E485 IonicContact ND1-OE2 3.67Å; H480-E485 PolarHBondContact ND1-OE2 2.64Å; A483-E485 VanDerWaalsContact C-N 3.35Å; A483-E485 HydrophobicContact CB-CG 4.41Å; A483-E485 PolarHBondContact O-N 2.96Å; E485-N487 VanDerWaalsContact C-N 3.27Å; E485-N487 PolarHBondContact O-N 2.93Å
486	T	40.3	Very low	53.4	Low	130 Å²	130	99.4 Å²	99.4	80%	0.798	55%	0.553	S	S	*	*			trans	-79.7	-0.9	-175.4	49.6	0	0	0	0	115	G484 T488	G484-T486 PolarHBondContact O-N 3.31Å; T486-T488 PolarHBondContact O-N 3.15Å
487	N	42.7	Very low	51.1	Low	133 Å²	133	102.8 Å²	102.8	71%	0.711	56%	0.564	S	S	*	*			trans	-91.4	60.2	179.8	-90.2	-4	0	0	0	112.6	E485	E485-N487 VanDerWaalsContact C-N 3.27Å; E485-N487 PolarHBondContact O-N 2.93Å
488	T	45.1	Very low	49.1	Very low	76 Å²	76	109.8 Å²	109.8	47%	0.466	60%	0.596	S	S	.	*	T	Hydrogen-bonded Turn	trans	-54.9	-31.8	176.2	-8.9	0	0	0	0	116.6	T486 A490 I492	T486-T488 PolarHBondContact O-N 3.15Å; T488-A490 PolarHBondContact O-N 3.33Å; T488-I492 HydrophobicContact CG2-CD1 3.75Å; T488-I492 HydrophobicContact CG2-CG1 4.48Å; T488-I492 WeakPolarHBondContact O-CD1 3.47Å; T488-I492 WeakPolarHBondContact O-CG1 3.48Å; T488-I492 PolarHBondContact O-N 2.93Å
489	P	40	Very low	47	Very low	75 Å²	75	111.7 Å²	111.7	49%	0.487	61%	0.611	S	S	.	*	H	α-helix	trans	-60.2	-40.8	-171.1	-29	36.6	0	0	0	116	I491 I492 M493	P489-I491 PolarHBondContact O-N 3.48Å; P489-I492 PolarHBondContact O-N 3.36Å; P489-I492 VanDerWaalsContact O-N 3.17Å; P489-M493 PolarHBondContact O-N 3.45Å; P489-M493 VanDerWaalsContact O-N 3.12Å
490	A	41.8	Very low	44.9	Very low	79 Å²	79	113.9 Å²	113.9	65%	0.653	63%	0.629	S	S	*	*	H	α-helix	trans	-62.4	-44.1	-170.6	0	0	0	0	0	112.7	T488 I492 G494	T488-A490 PolarHBondContact O-N 3.33Å; A490-I492 VanDerWaalsContact C-N 3.34Å; A490-G494 PolarHBondContact O-N 2.93Å
491	I	47.2	Very low	43.3	Very low	100 Å²	100	114.2 Å²	114.2	51%	0.513	65%	0.645	S	S	.	*	H	α-helix	trans	-74.6	-27	179.5	-61.3	161.7	0	0	0	111.4	P489	P489-I491 PolarHBondContact O-N 3.48Å
492	I	47.6	Very low	41.4	Very low	19 Å²	19	118.2 Å²	118.2	10%	0.097	66%	0.663	C	S	.	*	H	α-helix	trans	-72.2	-35.2	178.1	-71.1	173.6	0	0	0	111.8	K414 L415 T488 P489 A490	K414-I492 HydrophobicContact CB-CG2 3.86Å; K414-I492 VanDerWaalsContact CD-O 3.24Å; K414-I492 WeakPolarHBondContact CD-O 3.33Å; L415-I492 HydrophobicContact CB-CG2 3.81Å; L415-I492 HydrophobicContact CD1-CD1 3.85Å; L415-I492 HydrophobicContact CD1-CG2 4.34Å; T488-I492 HydrophobicContact CG2-CD1 3.75Å; T488-I492 HydrophobicContact CG2-CG1 4.48Å; T488-I492 WeakPolarHBondContact O-CD1 3.47Å; T488-I492 WeakPolarHBondContact O-CG1 3.48Å; T488-I492 PolarHBondContact O-N 2.93Å; P489-I492 PolarHBondContact O-N 3.36Å; P489-I492 VanDerWaalsContact O-N 3.17Å; A490-I492 VanDerWaalsContact C-N 3.34Å
493	M	44.1	Very low	39.5	Very low	162 Å²	162	119.3 Å²	119.3	80%	0.798	67%	0.673	S	S	*	*	H	α-helix	trans	-74.2	-45.1	176.6	-62.8	-166.7	75.4	0	0	111.3	P489	P489-M493 PolarHBondContact O-N 3.45Å; P489-M493 VanDerWaalsContact O-N 3.12Å
494	G	39.4	Very low	37.6	Very low	41 Å²	41	119.2 Å²	119.2	42%	0.423	68%	0.679	S	S	.	*			trans	82.7	140.9	179.3	0	0	0	0	0	113	A490	A490-G494 PolarHBondContact O-N 2.93Å
495	E	31.8	Very low	36.7	Very low	177 Å²	177	124.2 Å²	124.2	83%	0.827	69%	0.687	S	S	*	*			trans	-78.3	128.7	167.8	-66.7	177.4	138.4	0	0	108.8	N497	E495-N497 PolarHBondContact O-N 3.22Å; E495-N497 VanDerWaalsContact O-N 3.12Å
496	E	40.1	Very low	35.9	Very low	192 Å²	192	125.9 Å²	125.9	90%	0.897	69%	0.692	S	S	*	*			trans	-78.7	86.5	173.7	-66.8	-176.3	144.9	0	0	109.1
497	N	28.5	Very low	35.2	Very low	119 Å²	119	129 Å²	129	64%	0.636	70%	0.698	S	S	*	*			trans	-80.9	122.5	170.8	-69.7	-7.2	0	0	0	109.7	E495 D499	E495-N497 PolarHBondContact O-N 3.22Å; E495-N497 VanDerWaalsContact O-N 3.12Å; N497-D499 PolarHBondContact O-N 3.46Å
498	E	33.9	Very low	34.4	Very low	181 Å²	181	126.8 Å²	126.8	85%	0.846	70%	0.698	S	S	*	*			trans	-75.6	28	-174.6	-59.6	-178.5	108.2	0	0	114.2	D500	E498-D500 PolarHBondContact O-N 2.62Å
499	D	31.2	Very low	33.5	Very low	145 Å²	145	132.1 Å²	132.1	78%	0.775	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	21.8	-167.3	-73.4	-44.7	0	0	0	115.4	N497	N497-D499 PolarHBondContact O-N 3.46Å
500	D	29.8	Very low	32.8	Very low	178 Å²	178	133.7 Å²	133.7	95%	0.952	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.4	21.9	172.9	-110.8	-31.9	0	0	0	111.6	E498	E498-D500 PolarHBondContact O-N 2.62Å
501	A	32.2	Very low	32	Very low	86 Å²	86	137 Å²	137	71%	0.711	72%	0.721	S	S	*	*			trans	-116.7	17.7	-169	0	0	0	0	0	115.8
502	E	28.5	Very low	30.9	Very low	188 Å²	188	138.8 Å²	138.8	88%	0.879	73%	0.732	S	S	*	*			trans	-144.9	93.5	172.1	-145.6	175.3	-124.3	0	0	113.7
503	N	26.4	Very low	29.7	Very low	175 Å²	175	145.5 Å²	145.5	94%	0.936	77%	0.767	S	S	*	*			trans	-175.6	79.2	145.3	-104.1	-72.7	0	0	0	109.5
504	G	26.1	Very low	28.7	Very low	66 Å²	66	144.5 Å²	144.5	68%	0.68	77%	0.765	S	S	*	*			trans	-137.1	140	174.5	0	0	0	0	0	110.2
505	E	28.9	Very low	28	Very low	163 Å²	163	146.9 Å²	146.9	76%	0.762	78%	0.776	S	S	*	*			trans	69.1	134.6	-166.9	-49.4	-156.9	140.4	0	0	114.5
506	K	29.3	Very low	27.7	Very low	159 Å²	159	147.8 Å²	147.8	69%	0.691	78%	0.78	S	S	*	*			cis	-151	171.8	-10.1	-97.2	152.3	-171.7	151.4	0	104.8
507	E	25.7	Very low	26.8	Very low	195 Å²	195	143 Å²	143	91%	0.911	77%	0.773	S	S	*	*			cis	-144.8	-168.2	35.4	-72.1	-179.6	136.1	0	0	111.3
508	A	24.8	Very low	27.3	Very low	86 Å²	86	142.7 Å²	142.7	71%	0.711	78%	0.777	S	S	*	*			trans	-121.7	169.3	-177.1	0	0	0	0	0	112.5
509	E	25.4	Very low	26.7	Very low	189 Å²	189	138.2 Å²	138.2	88%	0.883	77%	0.766	S	S	*	*			trans	68.8	143.8	175.8	-48.7	-175.7	175.2	0	0	113.5
510	D	25.3	Very low	26.4	Very low	108 Å²	108	138.3 Å²	138.3	58%	0.578	77%	0.765	S	S	*	*			cis	-158.4	158.6	16.8	-164.1	14.3	0	0	0	111.3
511	K	25.7	Very low	26.1	Very low	148 Å²	148	137.5 Å²	137.5	64%	0.643	76%	0.76	S	S	*	*			trans	40.7	140.1	153.9	-81.7	166.6	-158	72.8	0	123.5
512	D	23.4	Very low	25.7	Very low	138 Å²	138	137.5 Å²	137.5	74%	0.738	75%	0.754	S	S	*	*			trans	46.5	128.2	134.9	-70.3	-35.7	0	0	0	119.7
513	L	24.1	Very low	25.4	Very low	160 Å²	160	137 Å²	137	84%	0.838	75%	0.752	S	S	*	*				-169.6	-176.8	52.5	-124.1	147.2	0	0	0	113.4
514	N	23.3	Very low	25.2	Very low	140 Å²	140	133.9 Å²	133.9	75%	0.749	74%	0.739	S	S	*	*			trans	-69.8	171.1	178.5	-175.7	30.8	0	0	0	114.7
515	S	24.3	Very low	25.1	Very low	92 Å²	92	136.4 Å²	136.4	64%	0.643	74%	0.741	S	S	*	*			trans	94.3	122.1	156.6	72.4	0	0	0	0	120.8
516	E	24.1	Very low	24.8	Very low	196 Å²	196	133.6 Å²	133.6	92%	0.916	74%	0.74	S	S	*	*			trans	55.6	142.5	139.2	-58.1	-171.4	149.4	0	0	122.5
517	A	21.4	Very low	24.5	Very low	91 Å²	91	133.3 Å²	133.3	75%	0.752	74%	0.741	S	S	*	*			trans	-97.3	-179.1	169.4	0	0	0	0	0	109.4
518	P	39.5	Very low	24.4	Very low	112 Å²	112	130.4 Å²	130.4	73%	0.727	73%	0.725	S	S	*	*			cis	-140.7	-168.3	3.8	38.8	-17.3	0	0	0	115.6
519	S	22.5	Very low	24.4	Very low	87 Å²	87	133.1 Å²	133.1	61%	0.608	72%	0.723	S	S	*	*			trans	90.3	117.3	133.1	68.8	0	0	0	0	123.6
520	I	24.3	Very low	24.3	Very low	147 Å²	147	129.7 Å²	129.7	75%	0.754	72%	0.715	S	S	*	*				83.7	128.1	118.4	-68.8	175.7	0	0	0	121
521	L	23	Very low	24.3	Very low	161 Å²	161	131.1 Å²	131.1	84%	0.843	72%	0.723	S	S	*	*			trans	61.4	156.6	168.1	-92	75.3	0	0	0	116.7
522	S	23	Very low	24.2	Very low	86 Å²	86	128.8 Å²	128.8	60%	0.601	73%	0.726	S	S	*	*			cis	-170.2	147.2	-24.6	44.7	0	0	0	0	112.4
523	E	22.6	Very low	24.2	Very low	179 Å²	179	128.4 Å²	128.4	84%	0.836	73%	0.728	S	S	*	*			trans	56.3	124.5	140	-71.4	-164.2	130.2	0	0	123.5
524	V	23	Very low	24.4	Very low	109 Å²	109	124.9 Å²	124.9	66%	0.661	72%	0.717	S	S	*	*				91.9	87.2	124.2	174.7	0	0	0	0	120.8
525	T	22.7	Very low	24.5	Very low	118 Å²	118	127.1 Å²	127.1	72%	0.724	72%	0.723	S	S	*	*				67.8	146	127.4	69.5	0	0	0	0	124.4
526	S	23.1	Very low	24.6	Very low	104 Å²	104	127.1 Å²	127.1	73%	0.727	72%	0.723	S	S	*	*				118.1	103.1	126.3	68.7	0	0	0	0	120.5
527	E	23.6	Very low	24.8	Very low	153 Å²	153	125.1 Å²	125.1	72%	0.715	72%	0.718	S	S	*	*				79.6	119.8	124.7	-66.1	-148.8	150.1	0	0	124.6
528	K	23.4	Very low	25.1	Very low	134 Å²	134	124.9 Å²	124.9	58%	0.583	72%	0.717	S	S	*	*				88.9	110.9	123.2	-76.3	-172.4	177.5	118.2	0	123.5
529	E	24.1	Very low	24.4	Very low	143 Å²	143	127.4 Å²	127.4	67%	0.668	72%	0.722	S	S	*	*				89.7	122.1	115	-79.6	178.1	-141.1	0	0	124.1
530	T	23.9	Very low	24.5	Very low	117 Å²	117	128 Å²	128	72%	0.718	73%	0.727	S	S	*	*			trans	75.7	159.1	143.1	74	0	0	0	0	118.2
531	N	24.6	Very low	24.5	Very low	138 Å²	138	126.4 Å²	126.4	74%	0.738	73%	0.728	S	S	*	*			cis	-160.8	171.1	8.9	-141.9	-30.9	0	0	0	113.9
532	S	24.1	Very low	24.5	Very low	100 Å²	100	122.6 Å²	122.6	70%	0.699	73%	0.728	S	S	*	*			trans	74.8	157.1	149.2	88.6	0	0	0	0	118.4
533	V	24.6	Very low	24.5	Very low	129 Å²	129	126.6 Å²	126.6	78%	0.782	73%	0.734	S	S	*	*			cis	154.3	148.6	-2	140.9	0	0	0	0	105.1
534	S	27.2	Very low	24.6	Very low	87 Å²	87	124.8 Å²	124.8	61%	0.608	73%	0.726	S	S	*	*			cis	-173.9	174.9	-14.7	-82.6	0	0	0	0	110.7
535	Q	25.7	Very low	24.6	Very low	186 Å²	186	128.2 Å²	128.2	87%	0.869	74%	0.735	S	S	*	*			trans	72.4	152.9	156.2	-74.9	171.1	9.3	0	0	118.4
536	S	26.3	Very low	24.6	Very low	93 Å²	93	129 Å²	129	65%	0.65	73%	0.73	S	S	*	*			cis	-178	168.9	-12.9	60.8	0	0	0	0	108.9
537	N	28	Very low	24.6	Very low	154 Å²	154	133.9 Å²	133.9	82%	0.824	73%	0.733	S	S	*	*			cis	-168.1	178.1	-9.3	-113.9	11.3	0	0	0	110.7
538	A	27.1	Very low	24.5	Very low	86 Å²	86	132.5 Å²	132.5	71%	0.711	74%	0.74	S	S	*	*			trans	82	143.1	146.4	0	0	0	0	0	121.5
539	I	26.5	Very low	24.5	Very low	165 Å²	165	133.4 Å²	133.4	85%	0.846	75%	0.751	S	S	*	*			cis	-162.7	150.3	-12.7	-116	161.9	0	0	0	112.6
540	S	24.7	Very low	24.4	Very low	100 Å²	100	131.7 Å²	131.7	70%	0.699	76%	0.755	S	S	*	*			trans	75.8	113.3	156.4	-134.5	0	0	0	0	126.2
541	S	22.9	Very low	24.4	Very low	112 Å²	112	133.1 Å²	133.1	78%	0.783	76%	0.757	S	S	*	*				57.2	135.8	123.6	69.7	0	0	0	0	125.4
542	G	22.4	Very low	24.4	Very low	82 Å²	82	135.9 Å²	135.9	85%	0.845	76%	0.762	S	S	*	*			trans	160.7	110.2	146.3	0	0	0	0	0	117.8
543	K	24.8	Very low	24.3	Very low	169 Å²	169	141 Å²	141	74%	0.735	77%	0.772	S	S	*	*			trans	-65.7	150.3	-179	-95.3	166	155.8	-84.4	0	117.5
544	E	22.9	Very low	24.1	Very low	141 Å²	141	141.1 Å²	141.1	66%	0.659	77%	0.773	S	S	*	*			trans	71.3	122	133.1	-71	158.3	178.2	0	0	125.5
545	E	23.4	Very low	25.3	Very low	182 Å²	182	141.9 Å²	141.9	85%	0.85	78%	0.775	S	S	*	*			trans	81.7	145.1	130.9	-71.9	-165.9	152.8	0	0	126.9
546	E	23	Very low	25.1	Very low	134 Å²	134	140.1 Å²	140.1	63%	0.626	77%	0.772	S	S	*	*			trans	64.7	114.5	155.8	-72.3	-111.2	103.3	0	0	124
547	R	23.4	Very low	25.1	Very low	206 Å²	206	143.3 Å²	143.3	78%	0.777	78%	0.782	S	S	*	*			trans	46.7	129.7	131.5	-71.1	-177.4	165.5	132.1	-12	122.2
548	S	20.9	Very low	24.8	Very low	124 Å²	124	145.1 Å²	145.1	87%	0.867	79%	0.785	S	S	*	*				-171.8	162.9	107.8	38.1	0	0	0	0	113.8
549	N	23.4	Very low	24.9	Very low	154 Å²	154	147.3 Å²	147.3	82%	0.824	79%	0.789	S	S	*	*			trans	-85.1	158.6	-174.9	-63.9	-39.6	0	0	0	113.5
550	S	22.6	Very low	24.7	Very low	106 Å²	106	145.6 Å²	145.6	74%	0.741	79%	0.787	S	S	*	*				-178.7	122.4	118.4	-83.6	0	0	0	0	118
551	I	24	Very low	24.9	Very low	147 Å²	147	150 Å²	150	75%	0.754	80%	0.796	S	S	*	*				62	104.2	126.9	-54.2	172	0	0	0	120.9
552	K	24.2	Very low	25	Very low	196 Å²	196	152.7 Å²	152.7	85%	0.852	80%	0.8	S	S	*	*			trans	39.6	123.6	132.8	-57.4	-179.8	176.1	-177.6	0	121.4
553	K	21.8	Very low	25.1	Very low	207 Å²	207	153.9 Å²	153.9	90%	0.9	80%	0.796	S	S	*	*				-160.8	166.3	117.9	-114.5	178.2	-177.6	-176	0	113.7
554	V	21.9	Very low	25.5	Very low	133 Å²	133	155.2 Å²	155.2	81%	0.806	80%	0.804	S	S	*	*			trans	-155.2	157	-168.4	170.5	0	0	0	0	106.2
555	P	51.1	Low	25.6	Very low	102 Å²	102	153.3 Å²	153.3	66%	0.662	81%	0.813	S	S	*	*			cis	-123.1	-175.9	-4	22.1	3.3	0	0	0	113.3
556	D	21.6	Very low	25.8	Very low	150 Å²	150	151.3 Å²	151.3	80%	0.802	81%	0.813	S	S	*	*				176.8	158.6	110.4	-88.3	-3.4	0	0	0	111.4
557	D	25.6	Very low	25.9	Very low	159 Å²	159	152.1 Å²	152.1	85%	0.85	82%	0.822	S	S	*	*			trans	-84.1	153	-166.1	-50.4	-68.7	0	0	0	115.3
558	E	23.2	Very low	26.7	Very low	193 Å²	193	146.9 Å²	146.9	90%	0.902	82%	0.822	S	S	*	*				-154	148.4	126.3	-127.1	175.5	-170.4	0	0	115.2
559	V	29	Very low	26.9	Very low	131 Å²	131	147.1 Å²	147.1	79%	0.794	82%	0.819	S	S	*	*			trans	-51.2	143.8	-173.1	179	0	0	0	0	117.1
560	T	22.6	Very low	26.9	Very low	130 Å²	130	145.9 Å²	145.9	80%	0.798	81%	0.812	S	S	*	*			trans	-139.5	159.5	151.3	2.4	0	0	0	0	112.7
561	E	27.4	Very low	27.1	Very low	192 Å²	192	148.3 Å²	148.3	90%	0.897	82%	0.816	S	S	*	*			trans	-74.1	150.7	179.3	-63.1	169.8	126.6	0	0	111.8
562	I	25.3	Very low	27.2	Very low	168 Å²	168	146.4 Å²	146.4	86%	0.862	82%	0.815	S	S	*	*			trans	-116.3	109.1	177.5	-57.4	176.7	0	0	0	108.9
563	S	24	Very low	27.3	Very low	107 Å²	107	145.5 Å²	145.5	75%	0.748	81%	0.814	S	S	*	*			trans	-80	156.1	166.2	53.5	0	0	0	0	111.2
564	E	33.4	Very low	27.5	Very low	197 Å²	197	140.4 Å²	140.4	92%	0.921	81%	0.811	S	S	*	*			trans	-69.5	138	-176.9	-61.3	171.9	127	0	0	112.6
565	A	25.2	Very low	27.8	Very low	101 Å²	101	138.9 Å²	138.9	84%	0.835	81%	0.806	S	S	*	*			trans	-145.7	109.8	163.9	0	0	0	0	0	108.7
566	T	28	Very low	26.7	Very low	141 Å²	141	142 Å²	142	87%	0.865	82%	0.817	S	S	*	*			trans	-93.6	112.2	177.1	54.4	0	0	0	0	110.5
567	D	24.4	Very low	27	Very low	151 Å²	151	142.1 Å²	142.1	81%	0.807	81%	0.813	S	S	*	*			trans	-145.5	162.3	154	-142.1	-18.2	0	0	0	111.6
568	A	40.4	Very low	27.1	Very low	95 Å²	95	142.5 Å²	142.5	79%	0.785	82%	0.815	S	S	*	*			trans	-101.7	101.2	-172.3	0	0	0	0	0	111.7
569	T	25	Very low	27.4	Very low	129 Å²	129	138 Å²	138	79%	0.791	80%	0.797	S	S	*	*			trans	-124.4	154.1	175.3	42.3	0	0	0	0	112.9
570	D	24.8	Very low	27.3	Very low	128 Å²	128	139.6 Å²	139.6	68%	0.684	80%	0.801	S	S	*	*			trans	-59.6	148.3	-169.1	-55.4	-102.9	0	0	0	114.5	K599	D570-K599 IonicContact OD1-NZ 2.61Å; D570-K599 PolarHBondContact OD1-NZ 2.91Å
571	I	25.5	Very low	27.8	Very low	158 Å²	158	141.9 Å²	141.9	81%	0.81	80%	0.8	S	S	*	*			trans	-105.1	103.1	153.2	-60.9	178.5	0	0	0	107.4	E573	I571-E573 HydrophobicContact CG2-CG 4.13Å
572	S	25.8	Very low	27.8	Very low	107 Å²	107	142.5 Å²	142.5	75%	0.748	80%	0.799	S	S	*	*			trans	-91.2	104.2	165.6	41.9	0	0	0	0	109.5	A574	S572-A574 PolarHBondContact O-N 3.26Å
573	E	27.1	Very low	27.9	Very low	177 Å²	177	138.7 Å²	138.7	83%	0.827	80%	0.801	S	S	*	*			trans	-72.8	99.6	171.7	-68.8	-166.1	152	0	0	110	I571 S575	I571-E573 HydrophobicContact CG2-CG 4.13Å; E573-S575 PolarHBondContact O-N 3.13Å
574	A	27	Very low	28.1	Very low	100 Å²	100	137 Å²	137	83%	0.826	80%	0.801	S	S	*	*			trans	-75.7	98.7	173.7	0	0	0	0	0	110.5	S572	S572-A574 PolarHBondContact O-N 3.26Å
575	S	27.3	Very low	27.9	Very low	101 Å²	101	134 Å²	134	71%	0.706	79%	0.792	S	S	*	*			trans	-90.6	104.7	169.5	60.7	0	0	0	0	110.9	E573 Q577	E573-S575 PolarHBondContact O-N 3.13Å; S575-Q577 PolarHBondContact O-N 3.39Å; S575-Q577 VanDerWaalsContact O-N 3.17Å
576	D	27.7	Very low	28.2	Very low	168 Å²	168	135.7 Å²	135.7	90%	0.898	79%	0.791	S	S	*	*			trans	-66.3	111.3	168.6	-85.5	-35	0	0	0	110
577	Q	28.4	Very low	28.8	Very low	152 Å²	152	132.2 Å²	132.2	71%	0.71	78%	0.776	S	S	*	*			trans	-79.7	150	167.8	-63.3	-175.3	-1.2	0	0	110.6	S575 N579	S575-Q577 PolarHBondContact O-N 3.39Å; S575-Q577 VanDerWaalsContact O-N 3.17Å; Q577-N579 PolarHBondContact OE1-ND2 3.43Å; Q577-N579 VanDerWaalsContact OE1-ND2 3.11Å
578	D	27.2	Very low	29.2	Very low	167 Å²	167	131.7 Å²	131.7	89%	0.893	77%	0.769	S	S	*	*			trans	-135.7	152.8	139.7	-155.6	-3.3	0	0	0	110.4
579	N	29.9	Very low	29.1	Very low	99 Å²	99	133.2 Å²	133.2	53%	0.529	76%	0.764	S	S	.	*			trans	-113.7	146.3	-144	-109.6	-86	0	0	0	113.9	Q577	Q577-N579 PolarHBondContact OE1-ND2 3.43Å; Q577-N579 VanDerWaalsContact OE1-ND2 3.11Å
580	N	26.9	Very low	29.9	Very low	163 Å²	163	130.1 Å²	130.1	87%	0.872	75%	0.748	S	S	*	*			trans	-160.6	93.5	143	-112.5	-57.7	0	0	0	115.4
581	K	32.5	Very low	30.7	Very low	179 Å²	179	127.4 Å²	127.4	78%	0.778	73%	0.731	S	S	*	*			trans	-5.5	133	152.6	-75.6	171.5	169.9	167.6	0	118.2
582	K	28.4	Very low	31.6	Very low	205 Å²	205	126 Å²	126	89%	0.891	72%	0.721	S	S	*	*				-168.3	113.8	92.8	-101.3	-177.7	-178.4	-178.3	0	114
583	G	27.1	Very low	32.6	Very low	87 Å²	87	123.2 Å²	123.2	90%	0.897	70%	0.704	S	S	*	*			trans	-20.7	149.6	172.9	0	0	0	0	0	121.5
584	G	28.6	Very low	33.7	Very low	73 Å²	73	118.1 Å²	118.1	75%	0.753	68%	0.682	S	S	*	*			trans	-162.2	-15.4	179.6	0	0	0	0	0	118.4
585	D	27.9	Very low	34.8	Very low	134 Å²	134	116.2 Å²	116.2	72%	0.717	66%	0.657	S	S	*	*			trans	-157	154.3	169	-102.9	-50	0	0	0	111
586	V	31.8	Very low	35.8	Very low	136 Å²	136	115.7 Å²	115.7	82%	0.824	66%	0.659	S	S	*	*	S	Bend	trans	-122.4	0.9	-166.4	-171.9	0	0	0	0	113.3
587	A	40.1	Very low	36.4	Very low	67 Å²	67	114.8 Å²	114.8	55%	0.554	65%	0.65	S	S	*	*	S	Bend	trans	-95.9	-56.4	-179.1	0	0	0	0	0	113.1	D589 S590 E591	A587-D589 PolarHBondContact O-N 3.28Å; A587-S590 WeakPolarHBondContact O-CB 3.28Å; A587-S590 PolarHBondContact O-N 3.14Å; A587-S590 VanDerWaalsContact O-N 3.08Å; A587-S590 PolarHBondContact O-OG 3.12Å; A587-E591 PolarHBondContact O-N 3.43Å
588	E	33.8	Very low	37.1	Very low	141 Å²	141	110.8 Å²	110.8	66%	0.659	63%	0.629	S	S	*	*	H	α-helix	trans	-66.3	-43.8	-168	-60.6	-175.8	139.9	0	0	112.7	S590 E591 E592	E588-S590 PolarHBondContact O-N 2.99Å; E588-E591 PolarHBondContact O-N 2.94Å; E588-E592 PolarHBondContact O-N 3.25Å; E588-E592 VanDerWaalsContact O-N 3.16Å
589	D	37.3	Very low	38	Very low	126 Å²	126	109.9 Å²	109.9	67%	0.674	62%	0.617	S	S	*	*	H	α-helix	trans	-49.1	-26.3	171.7	-115.3	-10.3	0	0	0	113	A587 A593	A587-D589 PolarHBondContact O-N 3.28Å; D589-A593 VanDerWaalsContact O-CB 3.31Å; D589-A593 WeakPolarHBondContact O-CB 3.17Å; D589-A593 PolarHBondContact O-N 3.28Å
590	S	43.6	Very low	38.9	Very low	64 Å²	64	111.2 Å²	111.2	45%	0.448	62%	0.615	S	S	.	*	H	α-helix	trans	-88.5	-33.3	179.7	79	0	0	0	0	114	A587 E588 L594	A587-S590 WeakPolarHBondContact O-CB 3.28Å; A587-S590 PolarHBondContact O-N 3.14Å; A587-S590 VanDerWaalsContact O-N 3.08Å; A587-S590 PolarHBondContact O-OG 3.12Å; E588-S590 PolarHBondContact O-N 2.99Å; S590-L594 WeakPolarHBondContact O-CB 3.34Å; S590-L594 WeakPolarHBondContact O-CD1 3.34Å; S590-L594 VanDerWaalsContact O-CG 3.24Å; S590-L594 WeakPolarHBondContact O-CG 3.22Å; S590-L594 PolarHBondContact O-N 3.01Å
591	E	41.8	Very low	40.2	Very low	71 Å²	71	107.1 Å²	107.1	33%	0.332	59%	0.591	S	S	.	*	H	α-helix	trans	-69.9	-42.7	175.9	-169.2	175.5	166.7	0	0	109.6	R335 F337 A587 E588 L594 I595	R335-E591 IonicContact NH1-OE1 2.67Å; R335-E591 PolarHBondContact NH1-OE1 3.45Å; R335-E591 IonicContact NH1-OE2 2.68Å; F337-E591 HydrophobicContact CD1-CG 4.23Å; F337-E591 HydrophobicContact CE1-CG 4.28Å; A587-E591 PolarHBondContact O-N 3.43Å; E588-E591 PolarHBondContact O-N 2.94Å; E591-L594 PolarHBondContact O-N 3.38Å; E591-I595 HydrophobicContact CG-CD1 4.03Å; E591-I595 VanDerWaalsContact O-CG1 3.29Å; E591-I595 WeakPolarHBondContact O-CG1 3.18Å; E591-I595 PolarHBondContact O-N 3.16Å
592	E	44.1	Very low	41.4	Very low	130 Å²	130	103.3 Å²	103.3	61%	0.607	59%	0.587	S	S	*	*	H	α-helix	trans	-68.6	-39.7	-179.1	-63	-179.9	142.4	0	0	112.2	E588 I595 A596	E588-E592 PolarHBondContact O-N 3.25Å; E588-E592 VanDerWaalsContact O-N 3.16Å; E592-I595 PolarHBondContact O-N 2.86Å; E592-A596 WeakPolarHBondContact O-CB 3.44Å; E592-A596 PolarHBondContact O-N 3.35Å
593	A	47.2	Very low	43.3	Very low	47 Å²	47	94.4 Å²	94.4	39%	0.388	55%	0.552	S	S	.	*	H	α-helix	trans	-65.6	-35.2	173.3	0	0	0	0	0	113.1	D589 Q597	D589-A593 VanDerWaalsContact O-CB 3.31Å; D589-A593 WeakPolarHBondContact O-CB 3.17Å; D589-A593 PolarHBondContact O-N 3.28Å; A593-Q597 WeakPolarHBondContact O-CG 3.42Å; A593-Q597 PolarHBondContact O-N 3.28Å
594	L	49.8	Very low	45.4	Very low	70 Å²	70	92.1 Å²	92.1	37%	0.366	52%	0.52	S	S	.	.	H	α-helix	trans	-73	-38.3	175.7	-74.2	169.3	0	0	0	112	F337 M379 S590 E591 A596 Q597 Y598	F337-L594 HydrophobicContact CE1-CB 4.35Å; F337-L594 HydrophobicContact CZ-CB 3.86Å; M379-L594 HydrophobicContact CE-CD1 3.85Å; M379-L594 HydrophobicContact SD-CD1 4.45Å; S590-L594 WeakPolarHBondContact O-CB 3.34Å; S590-L594 WeakPolarHBondContact O-CD1 3.34Å; S590-L594 VanDerWaalsContact O-CG 3.24Å; S590-L594 WeakPolarHBondContact O-CG 3.22Å; S590-L594 PolarHBondContact O-N 3.01Å; E591-L594 PolarHBondContact O-N 3.38Å; L594-A596 VanDerWaalsContact C-N 3.32Å; L594-Q597 CarbonylContact O-C 3.54Å; L594-Q597 PolarHBondContact O-N 3.12Å; L594-Q597 VanDerWaalsContact O-N 3.17Å; L594-Y598 PolarHBondContact O-N 2.9Å; L594-Y598 VanDerWaalsContact O-N 3.1Å
595	I	49.6	Very low	47.4	Very low	60 Å²	60	94.5 Å²	94.5	31%	0.308	52%	0.52	S	S	.	.	H	α-helix	trans	-62.3	-40.7	172.4	-70.4	165.7	0	0	0	110.5	F337 E591 E592 Q597 Y598 V675	F337-I595 HydrophobicContact CD1-CG1 4.31Å; F337-I595 HydrophobicContact CE1-CG1 4.48Å; F337-I595 HydrophobicContact CG-CG1 4.38Å; E591-I595 HydrophobicContact CG-CD1 4.03Å; E591-I595 VanDerWaalsContact O-CG1 3.29Å; E591-I595 WeakPolarHBondContact O-CG1 3.18Å; E591-I595 PolarHBondContact O-N 3.16Å; E592-I595 PolarHBondContact O-N 2.86Å; I595-Q597 PolarHBondContact O-N 2.94Å; I595-Y598 VanDerWaalsContact O-CB 3.31Å; I595-Y598 WeakPolarHBondContact O-CB 3.44Å; I595-Y598 PolarHBondContact O-N 2.84Å; I595-Y598 VanDerWaalsContact O-N 3.15Å; I595-V675 HydrophobicContact CG2-CG1 4.44Å
596	A	47.3	Very low	49.8	Very low	90 Å²	90	92.3 Å²	92.3	74%	0.744	51%	0.509	S	S	*	.	H	α-helix	trans	-66.3	-23.3	175.2	0	0	0	0	0	113.9	E592 L594	E592-A596 WeakPolarHBondContact O-CB 3.44Å; E592-A596 PolarHBondContact O-N 3.35Å; L594-A596 VanDerWaalsContact C-N 3.32Å
597	Q	40.5	Very low	52.5	Low	150 Å²	150	86.1 Å²	86.1	70%	0.701	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-3.7	174.5	-69.3	178.5	21.1	0	0	113.5	A593 L594 I595 K599	A593-Q597 WeakPolarHBondContact O-CG 3.42Å; A593-Q597 PolarHBondContact O-N 3.28Å; L594-Q597 CarbonylContact O-C 3.54Å; L594-Q597 PolarHBondContact O-N 3.12Å; L594-Q597 VanDerWaalsContact O-N 3.17Å; I595-Q597 PolarHBondContact O-N 2.94Å; Q597-K599 PolarHBondContact O-N 3.27Å
598	Y	43.6	Very low	54.8	Low	68 Å²	68	83.4 Å²	83.4	27%	0.267	45%	0.446	S	S	.	.			trans	-72.2	99	-176.3	-172.9	-96.3	0	0	0	112	F337 G376 K377 A378 L594 I595	F337-Y598 HydrophobicContact CE2-CD2 4.37Å; G376-Y598 WeakPolarHBondContact O-CE2 3.32Å; G376-Y598 PolarHBondContact O-OH 3.39Å; K377-Y598 HydrophobicContact CB-CE2 4.1Å; A378-Y598 HydrophobicContact CB-CE2 3.86Å; L594-Y598 PolarHBondContact O-N 2.9Å; L594-Y598 VanDerWaalsContact O-N 3.1Å; I595-Y598 VanDerWaalsContact O-CB 3.31Å; I595-Y598 WeakPolarHBondContact O-CB 3.44Å; I595-Y598 PolarHBondContact O-N 2.84Å; I595-Y598 VanDerWaalsContact O-N 3.15Å
599	K	47	Very low	57.3	Low	147 Å²	147	77 Å²	77	64%	0.639	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-93.2	117.8	167.8	-66.5	-157.1	173.7	-150.6	0	110.2	D570 Q597 E601	D570-K599 IonicContact OD1-NZ 2.61Å; D570-K599 PolarHBondContact OD1-NZ 2.91Å; Q597-K599 PolarHBondContact O-N 3.27Å; K599-E601 PolarHBondContact O-N 3.44Å
600	Y	48.2	Very low	59.7	Low	127 Å²	127	73.6 Å²	73.6	50%	0.498	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-61.7	129.1	168.4	169.6	-93.3	0	0	0	109.9	E409	E409-Y600 PolarHBondContact OE2-OH 2.91Å
601	E	55	Low	61.8	Low	77 Å²	77	70.6 Å²	70.6	36%	0.36	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-93.7	139.2	178.7	-55.4	-162.8	107.4	0	0	109.9	W362 K377 H411 K599	W362-E601 HydrophobicContact CH2-CB 4.22Å; K377-E601 HydrophobicContact CD-CG 4.38Å; K377-E601 VanDerWaalsContact CD-OE2 3.3Å; K377-E601 WeakPolarHBondContact CD-OE2 3.4Å; K377-E601 WeakPolarHBondContact CE-OE2 3.31Å; K377-E601 IonicContact NZ-OE1 2.7Å; K377-E601 PolarHBondContact NZ-OE1 2.91Å; K377-E601 IonicContact NZ-OE2 2.8Å; K377-E601 PolarHBondContact NZ-OE2 3.35Å; H411-E601 PolarHBondContact CE1-O 3.3Å; K599-E601 PolarHBondContact O-N 3.44Å
602	S	56.9	Low	64.1	Low	100 Å²	100	67.2 Å²	67.2	70%	0.699	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-83.1	128.2	179	61.8	0	0	0	0	111.1
603	A	69	Low	66.2	Low	18 Å²	18	62.6 Å²	62.6	15%	0.149	34%	0.342	C	S	.	.			trans	-41.7	141.9	174.8	0	0	0	0	0	113.3	E409 N410 H411 K463	E409-A603 HydrophobicContact CG-CB 3.93Å; N410-A603 CarbonylContact O-C 3.57Å; N410-A603 WeakPolarHBondContact O-CA 3.3Å; N410-A603 WeakPolarHBondContact O-CB 3.49Å; H411-A603 PolarHBondContact CE1-N 2.91Å; K463-A603 PolarHBondContact NZ-O 2.67Å
604	T	70.5	Confident	68.4	Low	38 Å²	38	60.7 Å²	60.7	23%	0.233	33%	0.326	C	S	.	.			trans	-56.4	144.2	-171.7	-171.1	0	0	0	0	113.4	N410 K463 N606 I607	N410-T604 WeakPolarHBondContact O-CG2 3.41Å; N410-T604 PolarHBondContact O-N 2.96Å; K463-T604 WeakPolarHBondContact CD-O 3.35Å; K463-T604 WeakPolarHBondContact CE-O 3.37Å; K463-T604 PolarHBondContact NZ-O 2.85Å; T604-N606 PolarHBondContact OG1-N 3.29Å; T604-I607 HydrophobicContact CG2-CD1 4.15Å
605	T	70.3	Confident	70.5	Confident	124 Å²	124	57.4 Å²	57.4	76%	0.761	31%	0.308	S	S	*	.	S	Bend	trans	-85.4	-17.7	170.6	47.3	0	0	0	0	112.5	I607	T605-I607 PolarHBondContact O-N 3.43Å
606	N	78.6	Confident	72.6	Confident	88 Å²	88	54.6 Å²	54.6	47%	0.471	29%	0.294	S	S	.	.			trans	-94.1	88.8	-170.7	-159.7	-2.6	0	0	0	110.5	K414 Q417 T604	K414-N606 WeakPolarHBondContact CE-OD1 3.24Å; Q417-N606 PolarHBondContact NE2-O 3.1Å; T604-N606 PolarHBondContact OG1-N 3.29Å
607	I	87.9	Confident	74.9	Confident	5 Å²	5	50.5 Å²	50.5	3%	0.026	26%	0.26	C	S	.	.			trans	-94.7	135.5	-172.2	-55	-60.6	0	0	0	111.8	N410 K463 L465 T604 T605	N410-I607 WeakPolarHBondContact ND2-CD1 3.43Å; K463-I607 HydrophobicContact CB-CD1 3.96Å; K463-I607 HydrophobicContact CB-CG1 3.86Å; L465-I607 HydrophobicContact CD2-CB 4.3Å; L465-I607 HydrophobicContact CG-CB 4.48Å; T604-I607 HydrophobicContact CG2-CD1 4.15Å; T605-I607 PolarHBondContact O-N 3.43Å
608	H	88.7	Confident	77.5	Confident	10 Å²	10	43.4 Å²	43.4	5%	0.046	23%	0.227	C	C	.	.			trans	-73	131.8	174.4	-169.6	-92.9	0	0	0	111.4	Q417 Y418 Y610 L611 S612	Q417-H608 HydrophobicContact CB-CB 3.8Å; Y418-H608 AromaticContact CD2-CE1 3.52Å; H608-Y610 VanDerWaalsContact C-N 3.3Å; H608-Y610 PolarHBondContact ND1-N 2.78Å; H608-Y610 PolarHBondContact O-N 2.77Å; H608-L611 PolarHBondContact O-N 2.98Å; H608-S612 PolarHBondContact O-N 2.98Å
609	P	86	Confident	79.9	Confident	8 Å²	8	41.6 Å²	41.6	5%	0.052	22%	0.221	C	C	.	.	H	α-helix	trans	-60.8	-33.2	-170.5	23	-35.8	0	0	0	114.2	L465 Q473 L474 L611 S612 A613	L465-P609 HydrophobicContact CD1-CB 4.22Å; Q473-P609 HydrophobicContact CB-CB 4.02Å; Q473-P609 HydrophobicContact CB-CG 3.97Å; L474-P609 HydrophobicContact CB-CB 4.4Å; P609-L611 VanDerWaalsContact C-N 3.3Å; P609-L611 PolarHBondContact O-N 3.48Å; P609-S612 WeakPolarHBondContact O-CB 3.25Å; P609-S612 PolarHBondContact O-N 3.31Å; P609-A613 WeakPolarHBondContact O-CB 3.43Å; P609-A613 PolarHBondContact O-N 3.28Å
610	Y	87.1	Confident	82.2	Confident	54 Å²	54	36.1 Å²	36.1	21%	0.212	20%	0.2	C	C	.	.	H	α-helix	trans	-63.8	-33	174.9	-118.3	-93.9	0	0	0	113.2	Y418 L477 H608 M614	Y418-Y610 HydrophobicContact CE2-CD2 4.47Å; L477-Y610 HydrophobicContact CD2-CD2 3.79Å; L477-Y610 HydrophobicContact CD2-CE2 4.13Å; H608-Y610 VanDerWaalsContact C-N 3.3Å; H608-Y610 PolarHBondContact ND1-N 2.78Å; H608-Y610 PolarHBondContact O-N 2.77Å; Y610-M614 HydrophobicContact CD1-CE 4.3Å; Y610-M614 WeakPolarHBondContact O-CG 3.4Å
611	L	88.5	Confident	84.3	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-82.5	-34.9	178.6	-173.1	57.4	0	0	0	110.8	F408 Q417 M420 A421 N462 H608 P609 M614	F408-L611 HydrophobicContact CE2-CD1 4.2Å; Q417-L611 HydrophobicContact CB-CD2 4.1Å; Q417-L611 HydrophobicContact CG-CD2 4.12Å; M420-L611 HydrophobicContact CE-CD2 4.39Å; A421-L611 HydrophobicContact CB-CB 4.15Å; A421-L611 HydrophobicContact CB-CD1 4.21Å; N462-L611 VanDerWaalsContact ND2-CD2 3.31Å; N462-L611 WeakPolarHBondContact ND2-CD2 3.49Å; H608-L611 PolarHBondContact O-N 2.98Å; P609-L611 VanDerWaalsContact C-N 3.3Å; P609-L611 PolarHBondContact O-N 3.48Å; L611-M614 PolarHBondContact O-N 2.86Å
612	S	90.8	Very high	86.1	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-57.8	-49.1	171.1	-171.2	0	0	0	0	111.9	R464 L465 E470 H608 P609 M614 V615	R464-S612 WeakPolarHBondContact CG-OG 3.22Å; L465-S612 WeakPolarHBondContact CB-OG 3.46Å; L465-S612 PolarHBondContact N-OG 3.47Å; E470-S612 VanDerWaalsContact OE2-C 3.25Å; E470-S612 VanDerWaalsContact OE2-CB 3.28Å; E470-S612 WeakPolarHBondContact OE2-CB 3.37Å; E470-S612 PolarHBondContact OE2-OG 2.86Å; H608-S612 PolarHBondContact O-N 2.98Å; P609-S612 WeakPolarHBondContact O-CB 3.25Å; P609-S612 PolarHBondContact O-N 3.31Å; S612-M614 PolarHBondContact O-N 3.37Å; S612-V615 WeakPolarHBondContact O-CB 3.45Å; S612-V615 PolarHBondContact O-N 3.24Å
613	A	88.7	Confident	87.9	Confident	33 Å²	33	34.4 Å²	34.4	27%	0.273	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-14.4	-176.5	0	0	0	0	0	114.6	E470 L474 P609	E470-A613 PolarHBondContact OE2-N 3.04Å; L474-A613 HydrophobicContact CD1-CB 3.97Å; P609-A613 WeakPolarHBondContact O-CB 3.43Å; P609-A613 PolarHBondContact O-N 3.28Å
614	M	92.2	Very high	89.1	Confident	7 Å²	7	39.1 Å²	39.1	3%	0.034	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-7	175	-62.2	174.9	-178.8	0	0	113.3	A421 E425 L432 I460 Y610 L611 S612 N616	A421-M614 HydrophobicContact CB-CE 3.99Å; A421-M614 HydrophobicContact CB-SD 4.28Å; E425-M614 HydrophobicContact CB-CE 4.17Å; L432-M614 HydrophobicContact CD2-CE 4.36Å; L432-M614 HydrophobicContact CD2-CG 4.49Å; L432-M614 HydrophobicContact CD2-SD 3.93Å; I460-M614 HydrophobicContact CD1-CB 4.17Å; I460-M614 HydrophobicContact CD1-SD 4.17Å; Y610-M614 HydrophobicContact CD1-CE 4.3Å; Y610-M614 WeakPolarHBondContact O-CG 3.4Å; L611-M614 PolarHBondContact O-N 2.86Å; S612-M614 PolarHBondContact O-N 3.37Å; M614-N616 PolarHBondContact O-ND2 2.77Å
615	V	94.4	Very high	90.2	Very high	1 Å²	1	38 Å²	38	1%	0.006	20%	0.201	C	C	.	.			trans	-92.3	120.7	-178	-177.9	0	0	0	0	110.4	I460 N462 R464 S612 Q619	I460-V615 HydrophobicContact CG2-CG2 4.39Å; N462-V615 HydrophobicContact CB-CG2 4.08Å; N462-V615 WeakPolarHBondContact O-CG1 3.47Å; N462-V615 WeakPolarHBondContact O-CG2 3.5Å; R464-V615 HydrophobicContact CB-CB 4.29Å; R464-V615 HydrophobicContact CB-CG1 4.32Å; R464-V615 HydrophobicContact CG-CB 4.32Å; R464-V615 PolarHBondContact NH1-O 2.88Å; S612-V615 WeakPolarHBondContact O-CB 3.45Å; S612-V615 PolarHBondContact O-N 3.24Å; V615-Q619 HydrophobicContact CG1-CB 3.99Å; V615-Q619 HydrophobicContact CG1-CG 4.14Å
616	N	93.4	Very high	91.5	Very high	2 Å²	2	33 Å²	33	1%	0.011	17%	0.168	C	C	.	.			trans	-129.9	-99.1	-179.5	43.6	65.1	0	0	0	112.4	L433 P436 M442 M614 A618	L433-N616 WeakPolarHBondContact CD2-OD1 3.44Å; L433-N616 PolarHBondContact O-ND2 3.4Å; P436-N616 HydrophobicContact CG-CB 4.36Å; M442-N616 HydrophobicContact CE-CB 4.45Å; M442-N616 VanDerWaalsContact CE-O 3.29Å; M442-N616 WeakPolarHBondContact CE-O 3.37Å; M442-N616 HydrophobicContact SD-CB 3.85Å; M614-N616 PolarHBondContact O-ND2 2.77Å; N616-A618 PolarHBondContact O-N 3.18Å; N616-A618 VanDerWaalsContact O-N 3.08Å
617	Y	95.9	Very high	92.3	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.016	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-0	-169	-59.2	-67.1	0	0	0	115.5	L433 P436 L437 Y440 L448 P449 H636 M665	L433-Y617 HydrophobicContact CD2-CD2 3.74Å; L433-Y617 HydrophobicContact CD2-CE2 3.93Å; P436-Y617 WeakPolarHBondContact CA-OH 3.47Å; P436-Y617 WeakPolarHBondContact CB-OH 3.46Å; L437-Y617 HydrophobicContact CG-CE2 4.42Å; L437-Y617 PolarHBondContact N-OH 3.04Å; Y440-Y617 WeakPolarHBondContact CB-OH 3.44Å; Y440-Y617 WeakPolarHBondContact O-CE1 3.39Å; Y440-Y617 PolarHBondContact O-OH 3.17Å; L448-Y617 HydrophobicContact CD2-CD1 4.26Å; L448-Y617 WeakPolarHBondContact CD2-O 3.42Å; P449-Y617 VanDerWaalsContact CD-CD1 3.48Å; P449-Y617 HydrophobicContact CG-CD1 3.96Å; P449-Y617 HydrophobicContact CG-CD2 3.98Å; P449-Y617 HydrophobicContact CG-CE1 3.7Å; P449-Y617 HydrophobicContact CG-CE2 3.71Å; P449-Y617 HydrophobicContact CG-CG 4.09Å; Y617-H636 HydrophobicContact CD1-CB 4.49Å; Y617-M665 WeakPolarHBondContact O-CE 3.3Å
618	A	94.6	Very high	92.7	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.008	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.8	39.8	-178.4	0	0	0	0	0	111.6	I405 K461 N616 P620 M665	I405-A618 HydrophobicContact CG2-CB 4.4Å; K461-A618 HydrophobicContact CB-CB 4.01Å; K461-A618 WeakPolarHBondContact CB-O 3.27Å; K461-A618 WeakPolarHBondContact CG-O 3.44Å; N616-A618 PolarHBondContact O-N 3.18Å; N616-A618 VanDerWaalsContact O-N 3.08Å; A618-P620 VanDerWaalsContact O-CD 3.28Å; A618-P620 WeakPolarHBondContact O-CD 3.26Å; A618-M665 HydrophobicContact CB-CE 4.41Å
619	Q	95.2	Very high	93	Very high	30 Å²	30	35.6 Å²	35.6	14%	0.14	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	110.9	-173.1	-174	172.9	-68.8	0	0	111.6	R464 V615 H636 N637 M638	R464-Q619 HydrophobicContact CB-CG 4.21Å; V615-Q619 HydrophobicContact CG1-CB 3.99Å; V615-Q619 HydrophobicContact CG1-CG 4.14Å; Q619-H636 PolarHBondContact N-O 2.82Å; Q619-N637 PolarHBondContact NE2-OD1 3.16Å; Q619-N637 WeakPolarHBondContact O-CA 3.04Å; Q619-M638 PolarHBondContact O-N 3.21Å
620	P	93.9	Very high	93.4	Very high	31 Å²	31	39.9 Å²	39.9	20%	0.201	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	127.7	-178.1	32.2	-31.5	0	0	0	111.2	K461 N462 A618 M638	K461-P620 HydrophobicContact CG-CB 4.37Å; K461-P620 HydrophobicContact CG-CG 4.29Å; N462-P620 VanDerWaalsContact C-CG 3.44Å; N462-P620 WeakPolarHBondContact O-CD 3Å; N462-P620 VanDerWaalsContact O-CG 3.28Å; N462-P620 WeakPolarHBondContact O-CG 3.39Å; A618-P620 VanDerWaalsContact O-CD 3.28Å; A618-P620 WeakPolarHBondContact O-CD 3.26Å; P620-M638 CarbonylContact C-O 3.59Å; P620-M638 WeakPolarHBondContact CA-O 3.45Å; P620-M638 HydrophobicContact CB-SD 3.82Å
621	V	93.6	Very high	93.7	Very high	57 Å²	57	45.1 Å²	45.1	35%	0.345	23%	0.232	S	C	.	.			trans	-124.5	147.9	176	-62.4	0	0	0	0	111.8	F623 N637 M638 S639	V621-F623 PolarHBondContact O-N 3.27Å; V621-N637 HydrophobicContact CG1-CB 4.22Å; V621-N637 VanDerWaalsContact CG1-OD1 3.31Å; V621-N637 WeakPolarHBondContact CG1-OD1 3.45Å; V621-N637 HydrophobicContact CG2-CB 3.93Å; V621-M638 PolarHBondContact N-O 2.98Å; V621-S639 PolarHBondContact O-OG 3.19Å; V621-S639 VanDerWaalsContact O-OG 3.08Å
622	K	92.3	Very high	94	Very high	181 Å²	181	51.1 Å²	51.1	79%	0.787	25%	0.254	S	S	*	.			trans	-60.5	119.6	169.1	-177	178.9	180	-179.2	0	107.8
623	F	95.4	Very high	94.2	Very high	30 Å²	30	53.9 Å²	53.9	13%	0.132	27%	0.269	C	S	.	.			trans	-65.9	137.3	176.8	-171	-104.1	0	0	0	110.1	V621 G625 F626 A629 F641 Y649 Y660	V621-F623 PolarHBondContact O-N 3.27Å; F623-G625 WeakPolarHBondContact CZ-O 3.45Å; F623-F626 HydrophobicContact CE1-CE2 4.45Å; F623-F626 HydrophobicContact CE1-CZ 4.42Å; F623-F626 HydrophobicContact CE2-CD1 4.03Å; F623-F626 HydrophobicContact CE2-CE1 4.08Å; F623-F626 HydrophobicContact CZ-CB 4.46Å; F623-F626 AromaticContact CZ-CD1 3.53Å; F623-F626 HydrophobicContact CZ-CD1 3.53Å; F623-F626 HydrophobicContact CZ-CD2 4.07Å; F623-F626 AromaticContact CZ-CE1 3.58Å; F623-F626 HydrophobicContact CZ-CE1 3.58Å; F623-F626 HydrophobicContact CZ-CE2 4.12Å; F623-F626 AromaticContact CZ-CG 3.77Å; F623-F626 HydrophobicContact CZ-CG 3.77Å; F623-F626 AromaticContact CZ-CZ 3.89Å; F623-F626 HydrophobicContact CZ-CZ 3.89Å; F623-A629 HydrophobicContact CE2-CB 4.48Å; F623-F641 HydrophobicContact CB-CE1 3.83Å; F623-F641 HydrophobicContact CB-CZ 4.19Å; F623-F641 AromaticContact CD1-CE1 3.85Å; F623-F641 HydrophobicContact CD1-CE1 3.85Å; F623-F641 HydrophobicContact CD1-CZ 4.32Å; F623-F641 HydrophobicContact CD2-CE1 4.09Å; F623-F641 AromaticContact CD2-CZ 3.77Å; F623-F641 HydrophobicContact CD2-CZ 3.77Å; F623-F641 HydrophobicContact CE1-CE1 4.43Å; F623-F641 HydrophobicContact CE2-CZ 4.2Å; F623-F641 AromaticContact CG-CE1 3.65Å; F623-F641 HydrophobicContact CG-CE1 3.65Å; F623-F641 AromaticContact CG-CZ 3.83Å; F623-F641 HydrophobicContact CG-CZ 3.83Å; F623-Y649 HydrophobicContact CD1-CE2 4.01Å; F623-Y649 AromaticContact CD1-CZ 3.78Å; F623-Y649 WeakPolarHBondContact CD1-OH 3.43Å; F623-Y649 HydrophobicContact CE1-CE1 4.04Å; F623-Y649 HydrophobicContact CE1-CE2 4.01Å; F623-Y649 AromaticContact CE1-CZ 3.66Å; F623-Y660 HydrophobicContact CD2-CE2 4.36Å; F623-Y660 HydrophobicContact CE2-CD2 4.19Å; F623-Y660 AromaticContact CE2-CE2 3.93Å; F623-Y660 HydrophobicContact CE2-CE2 3.93Å
624	Q	93.5	Very high	94.5	Very high	117 Å²	117	54 Å²	54	55%	0.547	26%	0.264	S	S	.	.			trans	-122.5	-15	-174.9	-70.7	175.6	-2.5	0	0	113.3	V628 R632	Q624-V628 HydrophobicContact CB-CB 4.26Å; Q624-V628 HydrophobicContact CB-CG1 4.03Å; Q624-V628 HydrophobicContact CB-CG2 4.5Å; Q624-R632 VanDerWaalsContact OE1-CZ 3.23Å
625	G	94.3	Very high	94.7	Very high	14 Å²	14	54.7 Å²	54.7	14%	0.144	27%	0.268	C	S	.	.			trans	151.4	153.1	-172.2	0	0	0	0	0	110.5	F623 D627 A629	F623-G625 WeakPolarHBondContact CZ-O 3.45Å; G625-D627 VanDerWaalsContact C-OD1 3.24Å; G625-D627 VanDerWaalsContact CA-OD1 3.23Å; G625-D627 WeakPolarHBondContact CA-OD1 3.47Å; G625-A629 WeakPolarHBondContact O-CB 3.48Å; G625-A629 PolarHBondContact O-N 2.89Å; G625-A629 VanDerWaalsContact O-N 3.15Å
626	F	96.2	Very high	94.7	Very high	20 Å²	20	55.7 Å²	55.7	9%	0.088	27%	0.272	C	S	.	.	H	α-helix	trans	-73.6	-37.8	176.1	-72.5	-65.6	0	0	0	111.5	F623 A629 E630 Y649 N653 E656 F657 Y660	F623-F626 HydrophobicContact CE1-CE2 4.45Å; F623-F626 HydrophobicContact CE1-CZ 4.42Å; F623-F626 HydrophobicContact CE2-CD1 4.03Å; F623-F626 HydrophobicContact CE2-CE1 4.08Å; F623-F626 HydrophobicContact CZ-CB 4.46Å; F623-F626 AromaticContact CZ-CD1 3.53Å; F623-F626 HydrophobicContact CZ-CD1 3.53Å; F623-F626 HydrophobicContact CZ-CD2 4.07Å; F623-F626 AromaticContact CZ-CE1 3.58Å; F623-F626 HydrophobicContact CZ-CE1 3.58Å; F623-F626 HydrophobicContact CZ-CE2 4.12Å; F623-F626 AromaticContact CZ-CG 3.77Å; F623-F626 HydrophobicContact CZ-CG 3.77Å; F623-F626 AromaticContact CZ-CZ 3.89Å; F623-F626 HydrophobicContact CZ-CZ 3.89Å; F626-A629 PolarHBondContact O-N 3.28Å; F626-E630 VanDerWaalsContact O-CB 3.3Å; F626-E630 WeakPolarHBondContact O-CB 3.03Å; F626-E630 PolarHBondContact O-N 3.05Å; F626-Y649 AromaticContact CE2-CD1 3.72Å; F626-Y649 HydrophobicContact CE2-CD1 3.72Å; F626-Y649 HydrophobicContact CE2-CE1 4.42Å; F626-Y649 AromaticContact CE2-CG 3.92Å; F626-Y649 HydrophobicContact CE2-CG 3.92Å; F626-Y649 HydrophobicContact CZ-CD1 4.28Å; F626-Y649 HydrophobicContact CZ-CG 4.03Å; F626-N653 HydrophobicContact CD2-CB 3.87Å; F626-N653 HydrophobicContact CE2-CB 3.71Å; F626-E656 HydrophobicContact CB-CB 3.87Å; F626-E656 HydrophobicContact CD1-CB 4.42Å; F626-E656 HydrophobicContact CD2-CB 3.85Å; F626-E656 HydrophobicContact CG-CB 3.78Å; F626-F657 HydrophobicContact CE1-CB 3.94Å; F626-F657 AromaticContact CE1-CD2 3.71Å; F626-F657 HydrophobicContact CE1-CD2 3.71Å; F626-F657 HydrophobicContact CE1-CE2 4.42Å; F626-F657 AromaticContact CE1-CG 3.96Å; F626-F657 HydrophobicContact CE1-CG 3.96Å; F626-F657 HydrophobicContact CE2-CB 4.45Å; F626-F657 HydrophobicContact CZ-CB 3.69Å; F626-F657 HydrophobicContact CZ-CD1 4.23Å; F626-F657 AromaticContact CZ-CD2 3.85Å; F626-F657 HydrophobicContact CZ-CD2 3.85Å; F626-F657 AromaticContact CZ-CG 3.68Å; F626-F657 HydrophobicContact CZ-CG 3.68Å; F626-Y660 HydrophobicContact CD1-CD2 4.21Å; F626-Y660 HydrophobicContact CD1-CG 4.14Å; F626-Y660 HydrophobicContact CE1-CD2 4.5Å; F626-Y660 HydrophobicContact CE1-CG 4.17Å
627	D	96.1	Very high	94.8	Very high	114 Å²	114	56.5 Å²	56.5	61%	0.61	28%	0.276	S	S	*	.	H	α-helix	trans	-55.2	-53.4	167.2	58.3	-32.7	0	0	0	112.2	G625 A629 E630 E631	G625-D627 VanDerWaalsContact C-OD1 3.24Å; G625-D627 VanDerWaalsContact CA-OD1 3.23Å; G625-D627 WeakPolarHBondContact CA-OD1 3.47Å; D627-A629 VanDerWaalsContact C-N 3.26Å; D627-A629 PolarHBondContact O-N 3.26Å; D627-E630 PolarHBondContact O-N 3.46Å; D627-E630 VanDerWaalsContact O-N 3.1Å; D627-E631 WeakPolarHBondContact O-CB 3.32Å; D627-E631 PolarHBondContact O-N 3.07Å
628	V	95.7	Very high	94.9	Very high	30 Å²	30	56.3 Å²	56.3	18%	0.182	28%	0.276	C	S	.	.	H	α-helix	trans	-63.9	-32.8	179.5	-177.5	0	0	0	0	111.7	Q624 R632	Q624-V628 HydrophobicContact CB-CB 4.26Å; Q624-V628 HydrophobicContact CB-CG1 4.03Å; Q624-V628 HydrophobicContact CB-CG2 4.5Å; V628-R632 VanDerWaalsContact CG1-CZ 3.41Å; V628-R632 WeakPolarHBondContact O-CB 3.47Å; V628-R632 VanDerWaalsContact O-CG 3.3Å; V628-R632 WeakPolarHBondContact O-CG 3.44Å; V628-R632 PolarHBondContact O-N 3.07Å
629	A	94.8	Very high	95	Very high	14 Å²	14	56.4 Å²	56.4	12%	0.116	28%	0.276	C	S	.	.	H	α-helix	trans	-73.9	-34.7	174.7	0	0	0	0	0	112.7	F623 G625 F626 D627 N633 Y660	F623-A629 HydrophobicContact CE2-CB 4.48Å; G625-A629 WeakPolarHBondContact O-CB 3.48Å; G625-A629 PolarHBondContact O-N 2.89Å; G625-A629 VanDerWaalsContact O-N 3.15Å; F626-A629 PolarHBondContact O-N 3.28Å; D627-A629 VanDerWaalsContact C-N 3.26Å; D627-A629 PolarHBondContact O-N 3.26Å; A629-N633 PolarHBondContact O-N 3.24Å; A629-Y660 HydrophobicContact CB-CD2 3.88Å; A629-Y660 HydrophobicContact CB-CE2 3.9Å
630	E	94.1	Very high	95	Very high	98 Å²	98	56.9 Å²	56.9	46%	0.458	28%	0.283	S	S	.	.	H	α-helix	trans	-71.8	-45.9	176.2	-177.3	148.1	-93.3	0	0	112.4	F626 D627 R632 N633 R663	F626-E630 VanDerWaalsContact O-CB 3.3Å; F626-E630 WeakPolarHBondContact O-CB 3.03Å; F626-E630 PolarHBondContact O-N 3.05Å; D627-E630 PolarHBondContact O-N 3.46Å; D627-E630 VanDerWaalsContact O-N 3.1Å; E630-R632 PolarHBondContact O-N 2.94Å; E630-N633 PolarHBondContact O-N 3.21Å; E630-R663 IonicContact OE1-CZ 3.84Å; E630-R663 IonicContact OE1-NH1 2.77Å; E630-R663 PolarHBondContact OE1-NH1 3.1Å; E630-R663 IonicContact OE1-NH2 3.44Å; E630-R663 PolarHBondContact OE1-NH2 3.24Å
631	E	95.2	Very high	95.1	Very high	164 Å²	164	55.9 Å²	55.9	77%	0.766	28%	0.276	S	S	*	.	H	α-helix	trans	-58.9	-47.3	176.6	-177.2	-174.2	-145.8	0	0	111.5	D627 N633	D627-E631 WeakPolarHBondContact O-CB 3.32Å; D627-E631 PolarHBondContact O-N 3.07Å; E631-N633 VanDerWaalsContact C-N 3.32Å; E631-N633 PolarHBondContact O-N 2.86Å
632	R	94.1	Very high	95.1	Very high	125 Å²	125	55.4 Å²	55.4	47%	0.472	27%	0.271	S	S	.	.	H	α-helix	trans	-68.6	-30.6	178.8	-69.1	179.6	-175.1	154.7	11.3	112.7	Q624 V628 E630 I634	Q624-R632 VanDerWaalsContact OE1-CZ 3.23Å; V628-R632 VanDerWaalsContact CG1-CZ 3.41Å; V628-R632 WeakPolarHBondContact O-CB 3.47Å; V628-R632 VanDerWaalsContact O-CG 3.3Å; V628-R632 WeakPolarHBondContact O-CG 3.44Å; V628-R632 PolarHBondContact O-N 3.07Å; E630-R632 PolarHBondContact O-N 2.94Å; R632-I634 VanDerWaalsContact C-N 3.29Å; R632-I634 HydrophobicContact CB-CD1 4.33Å; R632-I634 HydrophobicContact CB-CG1 4.15Å; R632-I634 VanDerWaalsContact O-CG1 3.23Å; R632-I634 WeakPolarHBondContact O-CG1 3.44Å; R632-I634 PolarHBondContact O-N 2.94Å
633	N	94.8	Very high	95.2	Very high	58 Å²	58	47.3 Å²	47.3	31%	0.31	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	40	175.5	-166.1	19.6	0	0	0	114.2	G445 A629 E630 E631 H635	G445-N633 PolarHBondContact N-O 2.71Å; A629-N633 PolarHBondContact O-N 3.24Å; E630-N633 PolarHBondContact O-N 3.21Å; E631-N633 VanDerWaalsContact C-N 3.32Å; E631-N633 PolarHBondContact O-N 2.86Å; N633-H635 PolarHBondContact O-CD2 2.89Å; N633-H635 PolarHBondContact OD1-CD2 2.91Å; N633-H635 PolarHBondContact OD1-NE2 3.22Å
634	I	95.5	Very high	95.1	Very high	35 Å²	35	48.8 Å²	48.8	18%	0.179	25%	0.25	C	S	.	.			trans	-101.9	101.4	-176.5	-53.2	-178	0	0	0	110.3	P444 R632 H636 N637 Q664	P444-I634 HydrophobicContact CG-CG1 4.35Å; R632-I634 VanDerWaalsContact C-N 3.29Å; R632-I634 HydrophobicContact CB-CD1 4.33Å; R632-I634 HydrophobicContact CB-CG1 4.15Å; R632-I634 VanDerWaalsContact O-CG1 3.23Å; R632-I634 WeakPolarHBondContact O-CG1 3.44Å; R632-I634 PolarHBondContact O-N 2.94Å; I634-H636 WeakPolarHBondContact CG2-CE1 3.17Å; I634-H636 WeakPolarHBondContact CG2-ND1 3.44Å; I634-H636 VanDerWaalsContact CG2-NE2 3.34Å; I634-H636 WeakPolarHBondContact CG2-NE2 3.2Å; I634-H636 PolarHBondContact O-N 2.96Å; I634-N637 HydrophobicContact CB-CB 4.44Å; I634-N637 HydrophobicContact CG2-CB 4.29Å; I634-N637 WeakPolarHBondContact CG2-ND2 3.47Å; I634-N637 PolarHBondContact O-N 3.45Å; I634-Q664 PolarHBondContact O-NE2 2.86Å
635	H	95.5	Very high	95.1	Very high	23 Å²	23	46 Å²	46	11%	0.106	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-25.5	-167	-63.3	-149.5	0	0	0	113.2	H446 L448 N633 N637 R663	H446-H635 VanDerWaalsContact O-CB 3.31Å; H446-H635 WeakPolarHBondContact O-CB 3.38Å; L448-H635 HydrophobicContact CG-CB 4.34Å; N633-H635 PolarHBondContact O-CD2 2.89Å; N633-H635 PolarHBondContact OD1-CD2 2.91Å; N633-H635 PolarHBondContact OD1-NE2 3.22Å; H635-N637 VanDerWaalsContact C-N 3.27Å; H635-N637 PolarHBondContact O-N 3.44Å; H635-R663 WeakPolarHBondContact CB-O 3.32Å
636	H	94.9	Very high	95.1	Very high	21 Å²	21	45.4 Å²	45.4	10%	0.097	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-14.4	175.2	68.7	-110.2	0	0	0	114.2	M442 L448 Y617 Q619 I634	M442-H636 HydrophobicContact CE-CB 4.18Å; M442-H636 WeakPolarHBondContact CE-CD2 3.41Å; M442-H636 PolarHBondContact O-CE1 3.43Å; M442-H636 PolarHBondContact O-ND1 3.25Å; L448-H636 HydrophobicContact CD2-CB 4.45Å; Y617-H636 HydrophobicContact CD1-CB 4.49Å; Q619-H636 PolarHBondContact N-O 2.82Å; I634-H636 WeakPolarHBondContact CG2-CE1 3.17Å; I634-H636 WeakPolarHBondContact CG2-ND1 3.44Å; I634-H636 VanDerWaalsContact CG2-NE2 3.34Å; I634-H636 WeakPolarHBondContact CG2-NE2 3.2Å; I634-H636 PolarHBondContact O-N 2.96Å
637	N	96.1	Very high	95.1	Very high	19 Å²	19	48.1 Å²	48.1	10%	0.102	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	130	172.6	-79.1	-28.7	0	0	0	109.9	Q619 V621 I634 H635 Q664	Q619-N637 PolarHBondContact NE2-OD1 3.16Å; Q619-N637 WeakPolarHBondContact O-CA 3.04Å; V621-N637 HydrophobicContact CG1-CB 4.22Å; V621-N637 VanDerWaalsContact CG1-OD1 3.31Å; V621-N637 WeakPolarHBondContact CG1-OD1 3.45Å; V621-N637 HydrophobicContact CG2-CB 3.93Å; I634-N637 HydrophobicContact CB-CB 4.44Å; I634-N637 HydrophobicContact CG2-CB 4.29Å; I634-N637 WeakPolarHBondContact CG2-ND2 3.47Å; I634-N637 PolarHBondContact O-N 3.45Å; H635-N637 VanDerWaalsContact C-N 3.27Å; H635-N637 PolarHBondContact O-N 3.44Å; N637-Q664 WeakPolarHBondContact O-CG 3.37Å
638	M	96.4	Very high	95	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	158	178.3	71.7	82.3	65.7	0	0	110.7	K461 Q619 P620 V621 M665 R667 M692	K461-M638 HydrophobicContact CG-CE 4.49Å; K461-M638 HydrophobicContact CG-SD 4.07Å; Q619-M638 PolarHBondContact O-N 3.21Å; P620-M638 CarbonylContact C-O 3.59Å; P620-M638 WeakPolarHBondContact CA-O 3.45Å; P620-M638 HydrophobicContact CB-SD 3.82Å; V621-M638 PolarHBondContact N-O 2.98Å; M638-M665 VanDerWaalsContact CA-O 3.26Å; M638-M665 WeakPolarHBondContact CA-O 3.32Å; M638-M665 HydrophobicContact CB-CB 4.01Å; M638-M665 WeakPolarHBondContact CB-O 3.38Å; M638-R667 HydrophobicContact CE-CB 3.8Å; M638-M692 HydrophobicContact CE-CE 3.66Å
639	S	96.8	Very high	94.9	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.021	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	145.1	174.2	-67.3	0	0	0	0	111.6	V621 Y660 M665 S666 R667	V621-S639 PolarHBondContact O-OG 3.19Å; V621-S639 VanDerWaalsContact O-OG 3.08Å; S639-Y660 PolarHBondContact N-OH 3.29Å; S639-M665 PolarHBondContact N-O 3.09Å; S639-S666 WeakPolarHBondContact O-CA 3.23Å; S639-R667 PolarHBondContact O-N 2.71Å
640	S	95.9	Very high	94.8	Very high	41 Å²	41	45.9 Å²	45.9	29%	0.287	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	130.4	176.6	-59.1	0	0	0	0	109.5	K461 R667	K461-S640 WeakPolarHBondContact CE-OG 3.31Å; S640-R667 CarbonylContact C-O 3.5Å; S640-R667 WeakPolarHBondContact CA-O 3.5Å
641	F	96.1	Very high	94.7	Very high	10 Å²	10	50 Å²	50	4%	0.044	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	134.8	-176.5	-49.3	-90	0	0	0	110.3	F623 V645 Y649 F657 R667 I668 Y669	F623-F641 HydrophobicContact CB-CE1 3.83Å; F623-F641 HydrophobicContact CB-CZ 4.19Å; F623-F641 AromaticContact CD1-CE1 3.85Å; F623-F641 HydrophobicContact CD1-CE1 3.85Å; F623-F641 HydrophobicContact CD1-CZ 4.32Å; F623-F641 HydrophobicContact CD2-CE1 4.09Å; F623-F641 AromaticContact CD2-CZ 3.77Å; F623-F641 HydrophobicContact CD2-CZ 3.77Å; F623-F641 HydrophobicContact CE1-CE1 4.43Å; F623-F641 HydrophobicContact CE2-CZ 4.2Å; F623-F641 AromaticContact CG-CE1 3.65Å; F623-F641 HydrophobicContact CG-CE1 3.65Å; F623-F641 AromaticContact CG-CZ 3.83Å; F623-F641 HydrophobicContact CG-CZ 3.83Å; F641-V645 HydrophobicContact CB-CG1 4.45Å; F641-V645 HydrophobicContact CD1-CG1 3.97Å; F641-Y649 HydrophobicContact CD1-CD2 4.15Å; F641-Y649 AromaticContact CD1-CE2 3.89Å; F641-Y649 HydrophobicContact CD1-CE2 3.89Å; F641-Y649 HydrophobicContact CE1-CD2 4.09Å; F641-Y649 AromaticContact CE1-CE2 3.72Å; F641-Y649 HydrophobicContact CE1-CE2 3.72Å; F641-F657 HydrophobicContact CD2-CZ 4.29Å; F641-F657 HydrophobicContact CE2-CE2 4.22Å; F641-F657 HydrophobicContact CE2-CZ 4.26Å; F641-R667 PolarHBondContact N-O 3.22Å; F641-I668 HydrophobicContact CB-CD1 4.09Å; F641-I668 HydrophobicContact CD2-CD1 4.11Å; F641-I668 VanDerWaalsContact O-CA 3.31Å; F641-I668 WeakPolarHBondContact O-CA 3.27Å; F641-Y669 VanDerWaalsContact C-CD1 3.46Å; F641-Y669 WeakPolarHBondContact O-CD1 3.42Å; F641-Y669 WeakPolarHBondContact O-CE1 3.41Å; F641-Y669 PolarHBondContact O-N 3.18Å
642	N	93.9	Very high	94.6	Very high	47 Å²	47	46.6 Å²	46.6	25%	0.251	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	159.1	167.3	67.2	64.4	0	0	0	110.4	S644 V645 G646 Y669	N642-S644 PolarHBondContact O-N 3.47Å; N642-S644 VanDerWaalsContact O-N 3.12Å; N642-S644 WeakPolarHBondContact OD1-CB 3.26Å; N642-S644 PolarHBondContact OD1-N 3.08Å; N642-S644 VanDerWaalsContact OD1-N 3.14Å; N642-V645 PolarHBondContact O-N 3.43Å; N642-V645 VanDerWaalsContact O-N 3.17Å; N642-V645 PolarHBondContact OD1-N 3.48Å; N642-G646 PolarHBondContact O-N 2.88Å; N642-Y669 CarbonylContact C-O 3.55Å; N642-Y669 WeakPolarHBondContact CA-O 3.18Å; N642-Y669 HydrophobicContact CB-CE1 4.25Å; N642-Y669 HydrophobicContact CB-CE2 4.05Å; N642-Y669 VanDerWaalsContact N-CE1 3.32Å
643	E	93.3	Very high	94.6	Very high	10 Å²	10	43.3 Å²	43.3	5%	0.047	24%	0.237	C	C	.	.	H	α-helix	trans	-54.7	-35.6	-175.2	78.6	-171.5	-124.6	0	0	113.4	L647 Y669 P670 K671 R674 Y680	E643-L647 VanDerWaalsContact O-CB 3.32Å; E643-L647 WeakPolarHBondContact O-CB 3.35Å; E643-L647 WeakPolarHBondContact O-CG 3.46Å; E643-L647 PolarHBondContact O-N 2.83Å; E643-Y669 PolarHBondContact N-O 3.47Å; E643-P670 WeakPolarHBondContact OE2-CA 3.48Å; E643-K671 HydrophobicContact CG-CB 4.03Å; E643-K671 HydrophobicContact CG-CD 4.12Å; E643-K671 HydrophobicContact CG-CG 4.06Å; E643-K671 WeakPolarHBondContact OE1-CE 3.39Å; E643-K671 PolarHBondContact OE2-N 3.01Å; E643-R674 VanDerWaalsContact CD-NE 3.32Å; E643-R674 IonicContact OE1-CZ 3.25Å; E643-R674 IonicContact OE1-NE 2.8Å; E643-R674 PolarHBondContact OE1-NE 2.87Å; E643-R674 VanDerWaalsContact OE1-NE 3.1Å; E643-R674 IonicContact OE1-NH2 2.68Å; E643-R674 PolarHBondContact OE1-NH2 2.88Å; E643-R674 WeakPolarHBondContact OE2-CD 3.48Å; E643-R674 IonicContact OE2-CZ 3.22Å; E643-R674 IonicContact OE2-NE 2.71Å; E643-R674 PolarHBondContact OE2-NE 3.4Å; E643-R674 IonicContact OE2-NH2 3.38Å; E643-Y680 HydrophobicContact CB-CD1 4.18Å; E643-Y680 HydrophobicContact CB-CG 4.3Å
644	S	93.9	Very high	94.5	Very high	62 Å²	62	41.1 Å²	41.1	43%	0.434	23%	0.227	S	C	.	.	H	α-helix	trans	-69.4	-44.4	-178.7	-55	0	0	0	0	111.9	N642 L647 G648	N642-S644 PolarHBondContact O-N 3.47Å; N642-S644 VanDerWaalsContact O-N 3.12Å; N642-S644 WeakPolarHBondContact OD1-CB 3.26Å; N642-S644 PolarHBondContact OD1-N 3.08Å; N642-S644 VanDerWaalsContact OD1-N 3.14Å; S644-L647 PolarHBondContact O-N 2.99Å; S644-G648 PolarHBondContact O-N 3.18Å
645	V	94.4	Very high	94.4	Very high	59 Å²	59	42.3 Å²	42.3	36%	0.358	23%	0.233	S	C	.	.	H	α-helix	trans	-68.1	-41.6	176.6	172.1	0	0	0	0	110.7	F641 N642 L647 G648 Y649	F641-V645 HydrophobicContact CB-CG1 4.45Å; F641-V645 HydrophobicContact CD1-CG1 3.97Å; N642-V645 PolarHBondContact O-N 3.43Å; N642-V645 VanDerWaalsContact O-N 3.17Å; N642-V645 PolarHBondContact OD1-N 3.48Å; V645-L647 PolarHBondContact O-N 2.84Å; V645-G648 WeakPolarHBondContact O-CA 3.22Å; V645-G648 PolarHBondContact O-N 3.2Å; V645-G648 VanDerWaalsContact O-N 3.11Å; V645-Y649 HydrophobicContact CG1-CD2 3.91Å; V645-Y649 HydrophobicContact CG1-CE2 3.5Å; V645-Y649 VanDerWaalsContact CG1-CE2 3.5Å; V645-Y649 WeakPolarHBondContact O-CD2 3.24Å; V645-Y649 PolarHBondContact O-N 2.96Å
646	G	94.5	Very high	94.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.4	-41.3	174.6	0	0	0	0	0	112.9	N642 G648 L650	N642-G646 PolarHBondContact O-N 2.88Å; G646-G648 VanDerWaalsContact C-N 3.31Å; G646-L650 VanDerWaalsContact O-CB 3.31Å; G646-L650 WeakPolarHBondContact O-CB 3.41Å; G646-L650 PolarHBondContact O-N 3.09Å
647	L	94.2	Very high	94.6	Very high	77 Å²	77	44.1 Å²	44.1	40%	0.403	24%	0.241	S	C	.	.	H	α-helix	trans	-65.9	-33	172.4	-75.8	168.7	0	0	0	112.3	E643 S644 V645 K651 I684 F685	E643-L647 VanDerWaalsContact O-CB 3.32Å; E643-L647 WeakPolarHBondContact O-CB 3.35Å; E643-L647 WeakPolarHBondContact O-CG 3.46Å; E643-L647 PolarHBondContact O-N 2.83Å; S644-L647 PolarHBondContact O-N 2.99Å; V645-L647 PolarHBondContact O-N 2.84Å; L647-K651 WeakPolarHBondContact O-CB 3.2Å; L647-K651 PolarHBondContact O-N 3.24Å; L647-I684 HydrophobicContact CD2-CG2 3.92Å; L647-F685 HydrophobicContact CD2-CZ 4.31Å; L647-F685 HydrophobicContact CG-CZ 4.01Å
648	G	94.3	Very high	94.6	Very high	33 Å²	33	43.3 Å²	43.3	34%	0.34	24%	0.237	S	C	.	.	H	α-helix	trans	-58.2	-59.5	171.8	0	0	0	0	0	111.6	S644 V645 G646 L650 K651 T652	S644-G648 PolarHBondContact O-N 3.18Å; V645-G648 WeakPolarHBondContact O-CA 3.22Å; V645-G648 PolarHBondContact O-N 3.2Å; V645-G648 VanDerWaalsContact O-N 3.11Å; G646-G648 VanDerWaalsContact C-N 3.31Å; G648-L650 VanDerWaalsContact C-N 3.3Å; G648-L650 PolarHBondContact O-N 3.04Å; G648-K651 WeakPolarHBondContact O-CB 3.43Å; G648-K651 PolarHBondContact O-N 3.43Å; G648-T652 PolarHBondContact O-N 3.27Å; G648-T652 VanDerWaalsContact O-N 3.14Å; G648-T652 PolarHBondContact O-OG1 3.03Å
649	Y	95.1	Very high	94.6	Very high	69 Å²	69	45 Å²	45	27%	0.271	25%	0.246	S	C	.	.	H	α-helix	trans	-61.5	-35.8	177.5	-68.1	-53.1	0	0	0	113.1	F623 F626 F641 V645 K651 T652 N653	F623-Y649 HydrophobicContact CD1-CE2 4.01Å; F623-Y649 AromaticContact CD1-CZ 3.78Å; F623-Y649 WeakPolarHBondContact CD1-OH 3.43Å; F623-Y649 HydrophobicContact CE1-CE1 4.04Å; F623-Y649 HydrophobicContact CE1-CE2 4.01Å; F623-Y649 AromaticContact CE1-CZ 3.66Å; F626-Y649 AromaticContact CE2-CD1 3.72Å; F626-Y649 HydrophobicContact CE2-CD1 3.72Å; F626-Y649 HydrophobicContact CE2-CE1 4.42Å; F626-Y649 AromaticContact CE2-CG 3.92Å; F626-Y649 HydrophobicContact CE2-CG 3.92Å; F626-Y649 HydrophobicContact CZ-CD1 4.28Å; F626-Y649 HydrophobicContact CZ-CG 4.03Å; F641-Y649 HydrophobicContact CD1-CD2 4.15Å; F641-Y649 AromaticContact CD1-CE2 3.89Å; F641-Y649 HydrophobicContact CD1-CE2 3.89Å; F641-Y649 HydrophobicContact CE1-CD2 4.09Å; F641-Y649 AromaticContact CE1-CE2 3.72Å; F641-Y649 HydrophobicContact CE1-CE2 3.72Å; V645-Y649 HydrophobicContact CG1-CD2 3.91Å; V645-Y649 HydrophobicContact CG1-CE2 3.5Å; V645-Y649 VanDerWaalsContact CG1-CE2 3.5Å; V645-Y649 WeakPolarHBondContact O-CD2 3.24Å; V645-Y649 PolarHBondContact O-N 2.96Å; Y649-K651 PolarHBondContact O-N 2.99Å; Y649-T652 PolarHBondContact O-N 2.71Å; Y649-N653 CarbonylContact O-C 3.59Å; Y649-N653 VanDerWaalsContact O-C 3.27Å; Y649-N653 WeakPolarHBondContact O-CA 3.41Å; Y649-N653 PolarHBondContact O-N 2.79Å
650	L	92.8	Very high	94.6	Very high	9 Å²	9	45 Å²	45	5%	0.047	25%	0.245	C	C	.	.	H	α-helix	trans	-66.9	-25.8	175	-173.8	58.7	0	0	0	112.8	G646 G648 A654 I684 A688 P735 F736	G646-L650 VanDerWaalsContact O-CB 3.31Å; G646-L650 WeakPolarHBondContact O-CB 3.41Å; G646-L650 PolarHBondContact O-N 3.09Å; G648-L650 VanDerWaalsContact C-N 3.3Å; G648-L650 PolarHBondContact O-N 3.04Å; L650-A654 HydrophobicContact CD1-CB 4.09Å; L650-I684 HydrophobicContact CD2-CG2 3.39Å; L650-A688 HydrophobicContact CD1-CB 4Å; L650-P735 HydrophobicContact CD1-CG 4.07Å; L650-F736 HydrophobicContact CD1-CE2 3.82Å; L650-F736 HydrophobicContact CD1-CZ 4.25Å; L650-F736 HydrophobicContact CD2-CZ 4.38Å; L650-F736 HydrophobicContact CG-CE2 3.93Å; L650-F736 HydrophobicContact CG-CZ 3.91Å; L650-F736 WeakPolarHBondContact O-CE2 3.47Å
651	K	90.8	Very high	94.7	Very high	184 Å²	184	43 Å²	43	80%	0.8	23%	0.232	S	C	*	.	H	α-helix	trans	-80.3	-32.1	175.7	178.9	-174.9	171.5	-168	0	113	L647 G648 Y649	L647-K651 WeakPolarHBondContact O-CB 3.2Å; L647-K651 PolarHBondContact O-N 3.24Å; G648-K651 WeakPolarHBondContact O-CB 3.43Å; G648-K651 PolarHBondContact O-N 3.43Å; Y649-K651 PolarHBondContact O-N 2.99Å
652	T	93.4	Very high	94.7	Very high	94 Å²	94	43.3 Å²	43.3	58%	0.577	23%	0.233	S	C	*	.	H	α-helix	trans	-105.7	-29.9	-173	55.1	0	0	0	0	114.4	G648 Y649	G648-T652 PolarHBondContact O-N 3.27Å; G648-T652 VanDerWaalsContact O-N 3.14Å; G648-T652 PolarHBondContact O-OG1 3.03Å; Y649-T652 PolarHBondContact O-N 2.71Å
653	N	94.4	Very high	94.8	Very high	55 Å²	55	43.6 Å²	43.6	29%	0.294	23%	0.23	S	C	.	.			trans	-143.2	46.1	-165.8	-60.3	103	0	0	0	111.6	F626 Y649 I655 E656 F657	F626-N653 HydrophobicContact CD2-CB 3.87Å; F626-N653 HydrophobicContact CE2-CB 3.71Å; Y649-N653 CarbonylContact O-C 3.59Å; Y649-N653 VanDerWaalsContact O-C 3.27Å; Y649-N653 WeakPolarHBondContact O-CA 3.41Å; Y649-N653 PolarHBondContact O-N 2.79Å; N653-I655 VanDerWaalsContact C-N 3.33Å; N653-I655 PolarHBondContact O-N 2.81Å; N653-E656 WeakPolarHBondContact CA-OE2 3.38Å; N653-E656 HydrophobicContact CB-CB 4.22Å; N653-E656 HydrophobicContact CB-CG 4.48Å; N653-E656 PolarHBondContact O-N 3.38Å; N653-F657 WeakPolarHBondContact O-CB 3.49Å; N653-F657 PolarHBondContact O-N 2.94Å
654	A	92.8	Very high	95	Very high	12 Å²	12	43.4 Å²	43.4	10%	0.099	23%	0.23	C	C	.	.	H	α-helix	trans	-61	-38.1	-172.2	0	0	0	0	0	113.7	L650 V658 P735 F736	L650-A654 HydrophobicContact CD1-CB 4.09Å; A654-V658 WeakPolarHBondContact O-CG2 3.36Å; A654-V658 PolarHBondContact O-N 2.99Å; A654-P735 HydrophobicContact CB-CG 3.9Å; A654-F736 HydrophobicContact CB-CD2 4.03Å; A654-F736 HydrophobicContact CB-CE2 3.95Å
655	I	93.6	Very high	95.2	Very high	60 Å²	60	40.5 Å²	40.5	31%	0.308	21%	0.209	S	C	.	.	H	α-helix	trans	-77.5	-39.7	-175.5	-58.1	174.8	0	0	0	109.8	N653 F657 V658 N659 D734	N653-I655 VanDerWaalsContact C-N 3.33Å; N653-I655 PolarHBondContact O-N 2.81Å; I655-F657 VanDerWaalsContact C-N 3.33Å; I655-V658 PolarHBondContact O-N 2.89Å; I655-N659 PolarHBondContact O-N 3.37Å; I655-N659 PolarHBondContact O-ND2 2.99Å; I655-D734 HydrophobicContact CD1-CB 4.15Å; I655-D734 HydrophobicContact CG1-CB 4.07Å
656	E	96.4	Very high	95.3	Very high	83 Å²	83	37.7 Å²	37.7	39%	0.388	19%	0.192	S	C	.	.	H	α-helix	trans	-63.4	-40.6	175.7	-60.2	71.6	-161.4	0	0	110.6	F626 N653 N659 Y660	F626-E656 HydrophobicContact CB-CB 3.87Å; F626-E656 HydrophobicContact CD1-CB 4.42Å; F626-E656 HydrophobicContact CD2-CB 3.85Å; F626-E656 HydrophobicContact CG-CB 3.78Å; N653-E656 WeakPolarHBondContact CA-OE2 3.38Å; N653-E656 HydrophobicContact CB-CB 4.22Å; N653-E656 HydrophobicContact CB-CG 4.48Å; N653-E656 PolarHBondContact O-N 3.38Å; E656-N659 PolarHBondContact O-N 2.81Å; E656-Y660 WeakPolarHBondContact O-CB 3.29Å; E656-Y660 PolarHBondContact O-N 2.77Å
657	F	97.4	Very high	95.5	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-65.7	-40.9	176	-155.9	174.2	0	0	0	112	F626 F641 N653 I655 N659 Y660 N661 I668 A688	F626-F657 HydrophobicContact CE1-CB 3.94Å; F626-F657 AromaticContact CE1-CD2 3.71Å; F626-F657 HydrophobicContact CE1-CD2 3.71Å; F626-F657 HydrophobicContact CE1-CE2 4.42Å; F626-F657 AromaticContact CE1-CG 3.96Å; F626-F657 HydrophobicContact CE1-CG 3.96Å; F626-F657 HydrophobicContact CE2-CB 4.45Å; F626-F657 HydrophobicContact CZ-CB 3.69Å; F626-F657 HydrophobicContact CZ-CD1 4.23Å; F626-F657 AromaticContact CZ-CD2 3.85Å; F626-F657 HydrophobicContact CZ-CD2 3.85Å; F626-F657 AromaticContact CZ-CG 3.68Å; F626-F657 HydrophobicContact CZ-CG 3.68Å; F641-F657 HydrophobicContact CD2-CZ 4.29Å; F641-F657 HydrophobicContact CE2-CE2 4.22Å; F641-F657 HydrophobicContact CE2-CZ 4.26Å; N653-F657 WeakPolarHBondContact O-CB 3.49Å; N653-F657 PolarHBondContact O-N 2.94Å; I655-F657 VanDerWaalsContact C-N 3.33Å; F657-N659 VanDerWaalsContact C-N 3.34Å; F657-N659 PolarHBondContact O-N 2.69Å; F657-Y660 HydrophobicContact CD2-CD1 4.45Å; F657-Y660 PolarHBondContact O-N 2.87Å; F657-N661 WeakPolarHBondContact CD2-ND2 3.45Å; F657-N661 WeakPolarHBondContact O-CB 3.42Å; F657-N661 PolarHBondContact O-N 2.88Å; F657-N661 VanDerWaalsContact O-N 3.07Å; F657-N661 PolarHBondContact O-ND2 2.97Å; F657-N661 VanDerWaalsContact O-ND2 3.11Å; F657-I668 HydrophobicContact CZ-CD1 4.1Å; F657-A688 HydrophobicContact CD1-CB 4.32Å
658	V	96.2	Very high	95.7	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.006	17%	0.174	C	C	.	.	H	α-helix	trans	-60.9	-42	171.3	169.4	0	0	0	0	111.4	A654 I655 N661 K662 A688 F733 P735	A654-V658 WeakPolarHBondContact O-CG2 3.36Å; A654-V658 PolarHBondContact O-N 2.99Å; I655-V658 PolarHBondContact O-N 2.89Å; V658-N661 PolarHBondContact O-N 3.08Å; V658-K662 PolarHBondContact O-N 3.28Å; V658-A688 WeakPolarHBondContact CA-O 3.32Å; V658-F733 HydrophobicContact CG1-CB 4.34Å; V658-F733 HydrophobicContact CG1-CD1 4.12Å; V658-F733 HydrophobicContact CG2-CD1 4.15Å; V658-P735 HydrophobicContact CG2-CG 4.46Å
659	N	95.8	Very high	95.9	Very high	35 Å²	35	35.3 Å²	35.3	19%	0.187	17%	0.168	C	C	.	.	H	α-helix	trans	-68.7	-41.6	179.7	-74.9	-26.7	0	0	0	112.8	I655 E656 F657 N661 K662	I655-N659 PolarHBondContact O-N 3.37Å; I655-N659 PolarHBondContact O-ND2 2.99Å; E656-N659 PolarHBondContact O-N 2.81Å; F657-N659 VanDerWaalsContact C-N 3.34Å; F657-N659 PolarHBondContact O-N 2.69Å; N659-N661 VanDerWaalsContact C-N 3.31Å; N659-N661 PolarHBondContact O-N 2.92Å; N659-K662 WeakPolarHBondContact O-CB 3.38Å; N659-K662 PolarHBondContact O-N 2.98Å; N659-K662 PolarHBondContact OD1-NZ 2.84Å
660	Y	97.1	Very high	95.9	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.016	16%	0.156	C	C	.	.	H	α-helix	trans	-53.3	-49.7	170.3	172.4	-85.6	0	0	0	111.1	F623 F626 A629 S639 E656 F657 K662 R663 Q664 M665	F623-Y660 HydrophobicContact CD2-CE2 4.36Å; F623-Y660 HydrophobicContact CE2-CD2 4.19Å; F623-Y660 AromaticContact CE2-CE2 3.93Å; F623-Y660 HydrophobicContact CE2-CE2 3.93Å; F626-Y660 HydrophobicContact CD1-CD2 4.21Å; F626-Y660 HydrophobicContact CD1-CG 4.14Å; F626-Y660 HydrophobicContact CE1-CD2 4.5Å; F626-Y660 HydrophobicContact CE1-CG 4.17Å; A629-Y660 HydrophobicContact CB-CD2 3.88Å; A629-Y660 HydrophobicContact CB-CE2 3.9Å; S639-Y660 PolarHBondContact N-OH 3.29Å; E656-Y660 WeakPolarHBondContact O-CB 3.29Å; E656-Y660 PolarHBondContact O-N 2.77Å; F657-Y660 HydrophobicContact CD2-CD1 4.45Å; F657-Y660 PolarHBondContact O-N 2.87Å; Y660-K662 PolarHBondContact O-N 2.85Å; Y660-R663 PolarHBondContact O-N 2.87Å; Y660-R663 VanDerWaalsContact O-N 3.07Å; Y660-Q664 HydrophobicContact CD1-CB 4.38Å; Y660-Q664 HydrophobicContact CD2-CB 4.34Å; Y660-Q664 HydrophobicContact CE1-CB 3.95Å; Y660-Q664 HydrophobicContact CE2-CB 3.94Å; Y660-Q664 HydrophobicContact CE2-CG 4.47Å; Y660-Q664 PolarHBondContact O-N 3.21Å; Y660-M665 PolarHBondContact OH-O 3.11Å
661	N	97.8	Very high	95.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-68.2	-1	-178.4	-75.6	-37.3	0	0	0	114.8	F657 V658 N659 S666 A688 C690 Q691 K722	F657-N661 WeakPolarHBondContact CD2-ND2 3.45Å; F657-N661 WeakPolarHBondContact O-CB 3.42Å; F657-N661 PolarHBondContact O-N 2.88Å; F657-N661 VanDerWaalsContact O-N 3.07Å; F657-N661 PolarHBondContact O-ND2 2.97Å; F657-N661 VanDerWaalsContact O-ND2 3.11Å; V658-N661 PolarHBondContact O-N 3.08Å; N659-N661 VanDerWaalsContact C-N 3.31Å; N659-N661 PolarHBondContact O-N 2.92Å; N661-S666 WeakPolarHBondContact OD1-CB 3.5Å; N661-S666 PolarHBondContact OD1-OG 2.9Å; N661-A688 PolarHBondContact ND2-O 2.92Å; N661-C690 PolarHBondContact ND2-N 3.19Å; N661-C690 PolarHBondContact ND2-SG 3.12Å; N661-Q691 PolarHBondContact O-NE2 2.77Å; N661-Q691 PolarHBondContact OD1-OE1 2.87Å; N661-K722 PolarHBondContact O-NZ 2.77Å
662	K	96.8	Very high	95.4	Very high	15 Å²	15	30.7 Å²	30.7	7%	0.065	17%	0.168	C	C	.	.	H	α-helix	trans	-80.6	-37.6	168.3	-66.2	168.6	-175.8	174.3	0	112.1	V658 N659 Y660 M726 R728 R731	V658-K662 PolarHBondContact O-N 3.28Å; N659-K662 WeakPolarHBondContact O-CB 3.38Å; N659-K662 PolarHBondContact O-N 2.98Å; N659-K662 PolarHBondContact OD1-NZ 2.84Å; Y660-K662 PolarHBondContact O-N 2.85Å; K662-M726 WeakPolarHBondContact CG-O 3.24Å; K662-R728 WeakPolarHBondContact CD-O 3.4Å; K662-R728 WeakPolarHBondContact CE-O 3.49Å; K662-R728 PolarHBondContact NZ-O 3.42Å; K662-R731 PolarHBondContact NZ-O 2.97Å
663	R	95.6	Very high	94.9	Very high	53 Å²	53	29.5 Å²	29.5	20%	0.2	18%	0.175	C	C	.	.	H	α-helix	trans	-98.4	-46.9	-174.8	-62.5	-178.3	-65.1	-106.8	-2.1	112.3	E630 H635 Y660	E630-R663 IonicContact OE1-CZ 3.84Å; E630-R663 IonicContact OE1-NH1 2.77Å; E630-R663 PolarHBondContact OE1-NH1 3.1Å; E630-R663 IonicContact OE1-NH2 3.44Å; E630-R663 PolarHBondContact OE1-NH2 3.24Å; H635-R663 WeakPolarHBondContact CB-O 3.32Å; Y660-R663 PolarHBondContact O-N 2.87Å; Y660-R663 VanDerWaalsContact O-N 3.07Å
664	Q	97.4	Very high	94.6	Very high	7 Å²	7	29 Å²	29	3%	0.033	17%	0.169	C	C	.	.	S	Bend	trans	-111.6	160.9	-170.5	-72.7	166.1	-50	0	0	110.6	I634 N637 Y660 Q691	I634-Q664 PolarHBondContact O-NE2 2.86Å; N637-Q664 WeakPolarHBondContact O-CG 3.37Å; Y660-Q664 HydrophobicContact CD1-CB 4.38Å; Y660-Q664 HydrophobicContact CD2-CB 4.34Å; Y660-Q664 HydrophobicContact CE1-CB 3.95Å; Y660-Q664 HydrophobicContact CE2-CB 3.94Å; Y660-Q664 HydrophobicContact CE2-CG 4.47Å; Y660-Q664 PolarHBondContact O-N 3.21Å; Q664-Q691 PolarHBondContact O-NE2 2.96Å
665	M	97.7	Very high	94.4	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	18%	0.181	C	C	.	.			trans	-93.4	136.7	174.6	-69.3	-175.8	-67.6	0	0	111.3	L319 I324 L448 Y617 A618 M638 S639 Y660 M692	L319-M665 HydrophobicContact CB-SD 4.2Å; I324-M665 HydrophobicContact CD1-SD 4.47Å; L448-M665 HydrophobicContact CD1-CE 3.94Å; L448-M665 HydrophobicContact CD1-CG 3.84Å; L448-M665 HydrophobicContact CD1-SD 4.13Å; L448-M665 HydrophobicContact CD2-CE 4.44Å; Y617-M665 WeakPolarHBondContact O-CE 3.3Å; A618-M665 HydrophobicContact CB-CE 4.41Å; M638-M665 VanDerWaalsContact CA-O 3.26Å; M638-M665 WeakPolarHBondContact CA-O 3.32Å; M638-M665 HydrophobicContact CB-CB 4.01Å; M638-M665 WeakPolarHBondContact CB-O 3.38Å; S639-M665 PolarHBondContact N-O 3.09Å; Y660-M665 PolarHBondContact OH-O 3.11Å; M665-M692 HydrophobicContact CB-CE 3.71Å; M665-M692 HydrophobicContact CG-CE 4.31Å; M665-M692 HydrophobicContact SD-CE 3.92Å
666	S	98.2	Very high	94.2	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	144.1	162.6	57.5	0	0	0	0	111.1	S639 N661 C690 M692	S639-S666 WeakPolarHBondContact O-CA 3.23Å; N661-S666 WeakPolarHBondContact OD1-CB 3.5Å; N661-S666 PolarHBondContact OD1-OG 2.9Å; S666-C690 WeakPolarHBondContact OG-CA 3.22Å; S666-C690 VanDerWaalsContact OG-CB 3.28Å; S666-C690 WeakPolarHBondContact OG-CB 3.42Å; S666-C690 PolarHBondContact OG-SG 2.97Å; S666-C690 VanDerWaalsContact OG-SG 3.37Å; S666-M692 PolarHBondContact O-N 3.03Å; S666-M692 VanDerWaalsContact O-N 3.1Å
667	R	98.4	Very high	94.1	Very high	5 Å²	5	29 Å²	29	2%	0.019	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	134.5	163.1	-177.7	-179.6	-172.3	-122.3	7.9	109.6	S327 E358 M638 S639 S640 F641 M692 S694	S327-R667 PolarHBondContact O-NH2 3.34Å; E358-R667 VanDerWaalsContact CD-NH1 3.34Å; E358-R667 IonicContact OE1-CZ 3.94Å; E358-R667 IonicContact OE1-NH1 2.7Å; E358-R667 PolarHBondContact OE1-NH1 2.87Å; E358-R667 IonicContact OE1-NH2 3.35Å; E358-R667 PolarHBondContact OE1-NH2 3.12Å; E358-R667 VanDerWaalsContact OE1-NH2 3.13Å; E358-R667 IonicContact OE2-CZ 3.82Å; E358-R667 IonicContact OE2-NH1 2.94Å; E358-R667 PolarHBondContact OE2-NH1 3.11Å; E358-R667 IonicContact OE2-NH2 3.5Å; E358-R667 PolarHBondContact OE2-NH2 3.02Å; M638-R667 HydrophobicContact CE-CB 3.8Å; S639-R667 PolarHBondContact O-N 2.71Å; S640-R667 CarbonylContact C-O 3.5Å; S640-R667 WeakPolarHBondContact CA-O 3.5Å; F641-R667 PolarHBondContact N-O 3.22Å; R667-M692 CarbonylContact C-O 3.49Å; R667-M692 VanDerWaalsContact CA-O 3.27Å; R667-M692 WeakPolarHBondContact CA-O 3.43Å; R667-M692 HydrophobicContact CB-CB 3.97Å; R667-M692 HydrophobicContact CG-CB 3.98Å; R667-M692 WeakPolarHBondContact CG-O 3.36Å; R667-S694 PolarHBondContact NE-OG 3.11Å; R667-S694 VanDerWaalsContact NH2-CB 3.34Å; R667-S694 PolarHBondContact NH2-OG 2.82Å; R667-S694 VanDerWaalsContact NH2-OG 3.11Å
668	I	98.3	Very high	94.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	138	169.3	-49.4	-61.8	0	0	0	108.3	F641 F657 Y680 F685 C690 M692 S694	F641-I668 HydrophobicContact CB-CD1 4.09Å; F641-I668 HydrophobicContact CD2-CD1 4.11Å; F641-I668 VanDerWaalsContact O-CA 3.31Å; F641-I668 WeakPolarHBondContact O-CA 3.27Å; F657-I668 HydrophobicContact CZ-CD1 4.1Å; I668-Y680 HydrophobicContact CG2-CE2 4.12Å; I668-Y680 PolarHBondContact O-OH 3.38Å; I668-F685 HydrophobicContact CB-CD1 4.45Å; I668-F685 HydrophobicContact CB-CG 4.31Å; I668-F685 HydrophobicContact CD1-CD1 3.88Å; I668-F685 HydrophobicContact CD1-CE1 4.16Å; I668-F685 HydrophobicContact CD1-CG 4.5Å; I668-F685 HydrophobicContact CG1-CB 4.01Å; I668-F685 HydrophobicContact CG1-CD1 3.71Å; I668-F685 HydrophobicContact CG1-CE1 4.28Å; I668-F685 HydrophobicContact CG1-CG 3.83Å; I668-F685 HydrophobicContact CG2-CD1 4.05Å; I668-F685 HydrophobicContact CG2-CD2 3.9Å; I668-F685 HydrophobicContact CG2-CE1 3.95Å; I668-F685 HydrophobicContact CG2-CE2 3.78Å; I668-F685 HydrophobicContact CG2-CG 4.01Å; I668-F685 HydrophobicContact CG2-CZ 3.78Å; I668-C690 HydrophobicContact CG1-CB 4.03Å; I668-M692 PolarHBondContact N-O 3.11Å; I668-S694 WeakPolarHBondContact O-CA 3.2Å; I668-S694 VanDerWaalsContact O-CB 3.28Å; I668-S694 WeakPolarHBondContact O-CB 3.06Å; I668-S694 PolarHBondContact O-N 3.49Å
669	Y	97.1	Very high	94.1	Very high	54 Å²	54	30.7 Å²	30.7	21%	0.212	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	156.4	177.7	66	-81.1	0	0	0	112.4	H328 F641 N642 E643	H328-Y669 AromaticContact NE2-CD2 3.97Å; F641-Y669 VanDerWaalsContact C-CD1 3.46Å; F641-Y669 WeakPolarHBondContact O-CD1 3.42Å; F641-Y669 WeakPolarHBondContact O-CE1 3.41Å; F641-Y669 PolarHBondContact O-N 3.18Å; N642-Y669 CarbonylContact C-O 3.55Å; N642-Y669 WeakPolarHBondContact CA-O 3.18Å; N642-Y669 HydrophobicContact CB-CE1 4.25Å; N642-Y669 HydrophobicContact CB-CE2 4.05Å; N642-Y669 VanDerWaalsContact N-CE1 3.32Å; E643-Y669 PolarHBondContact N-O 3.47Å
670	P	95.7	Very high	94.2	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.019	18%	0.177	C	C	.	.			trans	-63.2	153.2	-177.8	-16.1	29.9	0	0	0	112.2	H328 E643 Y680	H328-P670 HydrophobicContact CB-CG 4.27Å; E643-P670 WeakPolarHBondContact OE2-CA 3.48Å; P670-Y680 HydrophobicContact CB-CD1 4.18Å; P670-Y680 HydrophobicContact CB-CE1 4.3Å; P670-Y680 HydrophobicContact CG-CD1 4.14Å; P670-Y680 HydrophobicContact CG-CE1 3.85Å
671	K	90.4	Very high	94.2	Very high	94 Å²	94	31 Å²	31	41%	0.409	18%	0.183	S	C	.	.			trans	-75.8	144.8	171.1	65.6	-173.6	176.3	171.6	0	111.8	E643 G673 R674	E643-K671 HydrophobicContact CG-CB 4.03Å; E643-K671 HydrophobicContact CG-CD 4.12Å; E643-K671 HydrophobicContact CG-CG 4.06Å; E643-K671 WeakPolarHBondContact OE1-CE 3.39Å; E643-K671 PolarHBondContact OE2-N 3.01Å; K671-G673 PolarHBondContact O-N 3.2Å; K671-R674 HydrophobicContact CG-CG 4.18Å; K671-R674 WeakPolarHBondContact O-CB 3.47Å; K671-R674 PolarHBondContact O-N 2.82Å; K671-R674 VanDerWaalsContact O-N 3.07Å
672	G	82.1	Confident	94.1	Very high	68 Å²	68	31 Å²	31	70%	0.701	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-23.2	179.9	0	0	0	0	0	115.5	R674	G672-R674 PolarHBondContact O-N 2.94Å
673	G	83.9	Confident	94.1	Very high	69 Å²	69	30.4 Å²	30.4	71%	0.711	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	7.2	171.8	0	0	0	0	0	115.6	K671	K671-G673 PolarHBondContact O-N 3.2Å
674	R	88.4	Confident	94.1	Very high	45 Å²	45	30.9 Å²	30.9	17%	0.17	19%	0.187	C	C	.	.			trans	-100.7	58.9	172	-66.5	172.7	173.2	-84.3	5.6	110.4	Q336 E643 K671 G672 D676 S677 S678 N679	Q336-R674 VanDerWaalsContact CG-O 3.29Å; Q336-R674 WeakPolarHBondContact CG-O 3.34Å; E643-R674 VanDerWaalsContact CD-NE 3.32Å; E643-R674 IonicContact OE1-CZ 3.25Å; E643-R674 IonicContact OE1-NE 2.8Å; E643-R674 PolarHBondContact OE1-NE 2.87Å; E643-R674 VanDerWaalsContact OE1-NE 3.1Å; E643-R674 IonicContact OE1-NH2 2.68Å; E643-R674 PolarHBondContact OE1-NH2 2.88Å; E643-R674 WeakPolarHBondContact OE2-CD 3.48Å; E643-R674 IonicContact OE2-CZ 3.22Å; E643-R674 IonicContact OE2-NE 2.71Å; E643-R674 PolarHBondContact OE2-NE 3.4Å; E643-R674 IonicContact OE2-NH2 3.38Å; K671-R674 HydrophobicContact CG-CG 4.18Å; K671-R674 WeakPolarHBondContact O-CB 3.47Å; K671-R674 PolarHBondContact O-N 2.82Å; K671-R674 VanDerWaalsContact O-N 3.07Å; G672-R674 PolarHBondContact O-N 2.94Å; R674-D676 PolarHBondContact O-N 3Å; R674-D676 VanDerWaalsContact O-N 3.12Å; R674-S677 PolarHBondContact O-N 2.82Å; R674-S678 WeakPolarHBondContact CD-O 3.25Å; R674-S678 PolarHBondContact NH1-OG 3.28Å; R674-N679 VanDerWaalsContact NH1-C 3.3Å; R674-N679 PolarHBondContact NH1-O 2.83Å
675	V	88.1	Confident	94.1	Very high	58 Å²	58	30.6 Å²	30.6	35%	0.352	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-24.1	-177.8	-61.7	0	0	0	0	113	Q336 I595 S677	Q336-V675 PolarHBondContact N-O 3.06Å; I595-V675 HydrophobicContact CG2-CG1 4.44Å; V675-S677 PolarHBondContact O-N 3.13Å
676	D	89.8	Confident	94.1	Very high	97 Å²	97	30.7 Å²	30.7	52%	0.519	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-3.3	174.1	71.8	-22.5	0	0	0	114.6	R674 S678	R674-D676 PolarHBondContact O-N 3Å; R674-D676 VanDerWaalsContact O-N 3.12Å; D676-S678 PolarHBondContact O-N 3.07Å; D676-S678 WeakPolarHBondContact OD1-CB 3.41Å; D676-S678 PolarHBondContact OD1-N 3.28Å; D676-S678 PolarHBondContact OD1-OG 2.95Å; D676-S678 VanDerWaalsContact OD2-CB 3.29Å; D676-S678 WeakPolarHBondContact OD2-CB 3.47Å; D676-S678 PolarHBondContact OD2-OG 3.3Å
677	S	94.2	Very high	94	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.188	C	C	.	.			trans	62	23.2	-172	-56.3	0	0	0	0	114.6	G334 Q336 R674 V675 N696 Q698 T699	G334-S677 WeakPolarHBondContact O-CB 3.3Å; G334-S677 PolarHBondContact O-OG 3.03Å; Q336-S677 PolarHBondContact N-OG 3.1Å; Q336-S677 PolarHBondContact NE2-OG 3.47Å; R674-S677 PolarHBondContact O-N 2.82Å; V675-S677 PolarHBondContact O-N 3.13Å; S677-N696 VanDerWaalsContact O-CB 3.25Å; S677-N696 WeakPolarHBondContact O-CB 3.41Å; S677-N696 PolarHBondContact O-ND2 2.95Å; S677-N696 VanDerWaalsContact O-ND2 3.13Å; S677-Q698 PolarHBondContact OG-NE2 2.85Å; S677-T699 VanDerWaalsContact O-CB 3.3Å; S677-T699 WeakPolarHBondContact O-CB 3.4Å; S677-T699 PolarHBondContact O-OG1 2.7Å
678	S	96.2	Very high	93.8	Very high	23 Å²	23	30.9 Å²	30.9	16%	0.161	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-59.7	158	170.7	56.4	0	0	0	0	112.7	R674 D676 N696	R674-S678 WeakPolarHBondContact CD-O 3.25Å; R674-S678 PolarHBondContact NH1-OG 3.28Å; D676-S678 PolarHBondContact O-N 3.07Å; D676-S678 WeakPolarHBondContact OD1-CB 3.41Å; D676-S678 PolarHBondContact OD1-N 3.28Å; D676-S678 PolarHBondContact OD1-OG 2.95Å; D676-S678 VanDerWaalsContact OD2-CB 3.29Å; D676-S678 WeakPolarHBondContact OD2-CB 3.47Å; D676-S678 PolarHBondContact OD2-OG 3.3Å; S678-N696 PolarHBondContact O-ND2 3.17Å; S678-N696 VanDerWaalsContact O-ND2 3.08Å
679	N	97.4	Very high	93.8	Very high	14 Å²	14	30.9 Å²	30.9	8%	0.075	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-102.9	158.3	176.5	-69.6	-57.9	0	0	0	113.5	R674 L695 N696 T699 D701 A703	R674-N679 VanDerWaalsContact NH1-C 3.3Å; R674-N679 PolarHBondContact NH1-O 2.83Å; N679-L695 HydrophobicContact CB-CD2 4.16Å; N679-L695 WeakPolarHBondContact OD1-CB 3.48Å; N679-N696 PolarHBondContact ND2-O 2.8Å; N679-N696 WeakPolarHBondContact OD1-CB 3.22Å; N679-N696 PolarHBondContact OD1-N 3.14Å; N679-T699 PolarHBondContact ND2-O 3.41Å; N679-D701 VanDerWaalsContact CB-OD2 3.31Å; N679-D701 WeakPolarHBondContact CB-OD2 3.2Å; N679-D701 PolarHBondContact N-OD2 2.72Å; N679-D701 PolarHBondContact ND2-OD1 3.29Å; N679-D701 VanDerWaalsContact ND2-OD1 3.13Å; N679-D701 PolarHBondContact ND2-OD2 3.44Å; N679-A703 HydrophobicContact CB-CB 3.6Å
680	Y	97.1	Very high	93.8	Very high	13 Å²	13	28.3 Å²	28.3	5%	0.051	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-88.9	166.1	161.2	62.6	-91.1	0	0	0	110	E643 I668 P670 P682 F685 V693 S694 L695 A703	E643-Y680 HydrophobicContact CB-CD1 4.18Å; E643-Y680 HydrophobicContact CB-CG 4.3Å; I668-Y680 HydrophobicContact CG2-CE2 4.12Å; I668-Y680 PolarHBondContact O-OH 3.38Å; P670-Y680 HydrophobicContact CB-CD1 4.18Å; P670-Y680 HydrophobicContact CB-CE1 4.3Å; P670-Y680 HydrophobicContact CG-CD1 4.14Å; P670-Y680 HydrophobicContact CG-CE1 3.85Å; Y680-P682 VanDerWaalsContact O-CD 3.24Å; Y680-P682 WeakPolarHBondContact O-CD 3.48Å; Y680-F685 AromaticContact CD2-CD2 3.73Å; Y680-F685 HydrophobicContact CD2-CD2 3.73Å; Y680-F685 AromaticContact CD2-CE2 3.53Å; Y680-F685 HydrophobicContact CD2-CE2 3.53Å; Y680-F685 AromaticContact CE2-CD2 3.49Å; Y680-F685 HydrophobicContact CE2-CD2 3.49Å; Y680-F685 VanDerWaalsContact CE2-CD2 3.49Å; Y680-F685 AromaticContact CE2-CE2 3.65Å; Y680-F685 HydrophobicContact CE2-CE2 3.65Å; Y680-F685 HydrophobicContact CG-CE2 4.4Å; Y680-V693 HydrophobicContact CE2-CG1 3.59Å; Y680-V693 VanDerWaalsContact OH-CG1 3.28Å; Y680-V693 WeakPolarHBondContact OH-CG1 3.29Å; Y680-S694 WeakPolarHBondContact CE1-O 3.41Å; Y680-S694 PolarHBondContact OH-N 3.33Å; Y680-S694 PolarHBondContact OH-O 2.89Å; Y680-L695 HydrophobicContact CD1-CD2 4.38Å; Y680-L695 HydrophobicContact CE1-CD2 3.91Å; Y680-L695 HydrophobicContact CE2-CD2 4.09Å; Y680-A703 WeakPolarHBondContact O-CB 3.41Å
681	M	96.7	Very high	94	Very high	31 Å²	31	28.2 Å²	28.2	15%	0.153	18%	0.177	C	C	.	.			trans	-77.9	109.8	-179.1	178.4	55.3	56.4	0	0	111	Q683 I684 L702 L706 Y773	M681-Q683 VanDerWaalsContact C-N 3.29Å; M681-Q683 HydrophobicContact CG-CB 4.26Å; M681-Q683 PolarHBondContact O-N 2.99Å; M681-Q683 HydrophobicContact SD-CB 4.23Å; M681-I684 HydrophobicContact CB-CD1 3.89Å; M681-I684 HydrophobicContact CB-CG1 4.14Å; M681-I684 HydrophobicContact CG-CD1 4.32Å; M681-I684 HydrophobicContact CG-CG1 4.1Å; M681-I684 WeakPolarHBondContact O-CB 3.45Å; M681-I684 PolarHBondContact O-N 2.91Å; M681-L702 HydrophobicContact CE-CD2 4.04Å; M681-L702 HydrophobicContact CE-CG 4.18Å; M681-L706 HydrophobicContact CE-CD1 3.76Å; M681-L706 HydrophobicContact SD-CD1 3.53Å; M681-L706 VanDerWaalsContact SD-CD1 3.53Å; M681-Y773 HydrophobicContact CE-CD1 4.18Å; M681-Y773 HydrophobicContact CE-CE1 3.76Å; M681-Y773 HydrophobicContact SD-CD1 3.92Å; M681-Y773 HydrophobicContact SD-CE1 4.14Å
682	P	97.3	Very high	94.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-29.4	-170.8	27.6	-37.4	0	0	0	112.9	Y680 I684 F685 W686 V693 L695	Y680-P682 VanDerWaalsContact O-CD 3.24Å; Y680-P682 WeakPolarHBondContact O-CD 3.48Å; P682-I684 PolarHBondContact O-N 3.16Å; P682-I684 VanDerWaalsContact O-N 3.11Å; P682-F685 PolarHBondContact O-N 3.32Å; P682-W686 HydrophobicContact CB-CD2 4.29Å; P682-W686 HydrophobicContact CB-CE3 4.34Å; P682-W686 HydrophobicContact CB-CH2 3.72Å; P682-W686 HydrophobicContact CB-CZ2 3.67Å; P682-W686 HydrophobicContact CB-CZ3 4.07Å; P682-W686 HydrophobicContact CG-CE3 4.48Å; P682-W686 HydrophobicContact CG-CH2 3.56Å; P682-W686 HydrophobicContact CG-CZ2 4.05Å; P682-W686 HydrophobicContact CG-CZ3 3.82Å; P682-W686 PolarHBondContact O-N 3.48Å; P682-V693 HydrophobicContact CB-CG1 3.62Å; P682-L695 HydrophobicContact CB-CD1 4.28Å; P682-L695 HydrophobicContact CB-CD2 4.49Å; P682-L695 HydrophobicContact CG-CD1 4.15Å
683	Q	95.9	Very high	95.1	Very high	4 Å²	4	20.6 Å²	20.6	2%	0.019	13%	0.125	C	C	.	.	H	α-helix	trans	-54.2	-32.5	178.4	-172	64.6	53.7	0	0	112.9	M681 F685 W686 N687 G774	M681-Q683 VanDerWaalsContact C-N 3.29Å; M681-Q683 HydrophobicContact CG-CB 4.26Å; M681-Q683 PolarHBondContact O-N 2.99Å; M681-Q683 HydrophobicContact SD-CB 4.23Å; Q683-F685 PolarHBondContact O-N 3.37Å; Q683-W686 HydrophobicContact CB-CE3 4.25Å; Q683-W686 PolarHBondContact O-N 2.89Å; Q683-N687 PolarHBondContact NE2-OD1 3.42Å; Q683-N687 PolarHBondContact O-N 2.96Å; Q683-N687 PolarHBondContact O-ND2 3.11Å; Q683-N687 PolarHBondContact O-OD1 3.2Å; Q683-N687 VanDerWaalsContact O-OD1 3.11Å; Q683-G774 VanDerWaalsContact CG-O 3.29Å; Q683-G774 WeakPolarHBondContact CG-O 3.46Å
684	I	95.3	Very high	95.8	Very high	62 Å²	62	17.3 Å²	17.3	32%	0.318	9%	0.091	S	C	.	.	H	α-helix	trans	-57.7	-39.7	177.1	-62.9	176.6	0	0	0	111.2	L647 L650 M681 P682	L647-I684 HydrophobicContact CD2-CG2 3.92Å; L650-I684 HydrophobicContact CD2-CG2 3.39Å; M681-I684 HydrophobicContact CB-CD1 3.89Å; M681-I684 HydrophobicContact CB-CG1 4.14Å; M681-I684 HydrophobicContact CG-CD1 4.32Å; M681-I684 HydrophobicContact CG-CG1 4.1Å; M681-I684 WeakPolarHBondContact O-CB 3.45Å; M681-I684 PolarHBondContact O-N 2.91Å; P682-I684 PolarHBondContact O-N 3.16Å; P682-I684 VanDerWaalsContact O-N 3.11Å
685	F	97.8	Very high	96.3	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.009	8%	0.083	C	C	.	.	H	α-helix	trans	-91.3	-28.2	-177.9	-62.6	-74.7	0	0	0	112.8	L647 I668 Y680 P682 Q683 N687 A688 G689 C690 V693	L647-F685 HydrophobicContact CD2-CZ 4.31Å; L647-F685 HydrophobicContact CG-CZ 4.01Å; I668-F685 HydrophobicContact CB-CD1 4.45Å; I668-F685 HydrophobicContact CB-CG 4.31Å; I668-F685 HydrophobicContact CD1-CD1 3.88Å; I668-F685 HydrophobicContact CD1-CE1 4.16Å; I668-F685 HydrophobicContact CD1-CG 4.5Å; I668-F685 HydrophobicContact CG1-CB 4.01Å; I668-F685 HydrophobicContact CG1-CD1 3.71Å; I668-F685 HydrophobicContact CG1-CE1 4.28Å; I668-F685 HydrophobicContact CG1-CG 3.83Å; I668-F685 HydrophobicContact CG2-CD1 4.05Å; I668-F685 HydrophobicContact CG2-CD2 3.9Å; I668-F685 HydrophobicContact CG2-CE1 3.95Å; I668-F685 HydrophobicContact CG2-CE2 3.78Å; I668-F685 HydrophobicContact CG2-CG 4.01Å; I668-F685 HydrophobicContact CG2-CZ 3.78Å; Y680-F685 AromaticContact CD2-CD2 3.73Å; Y680-F685 HydrophobicContact CD2-CD2 3.73Å; Y680-F685 AromaticContact CD2-CE2 3.53Å; Y680-F685 HydrophobicContact CD2-CE2 3.53Å; Y680-F685 AromaticContact CE2-CD2 3.49Å; Y680-F685 HydrophobicContact CE2-CD2 3.49Å; Y680-F685 VanDerWaalsContact CE2-CD2 3.49Å; Y680-F685 AromaticContact CE2-CE2 3.65Å; Y680-F685 HydrophobicContact CE2-CE2 3.65Å; Y680-F685 HydrophobicContact CG-CE2 4.4Å; P682-F685 PolarHBondContact O-N 3.32Å; Q683-F685 PolarHBondContact O-N 3.37Å; F685-N687 PolarHBondContact O-N 3.31Å; F685-A688 CarbonylContact O-C 3.57Å; F685-A688 WeakPolarHBondContact O-CA 3.27Å; F685-A688 WeakPolarHBondContact O-CB 3.43Å; F685-A688 PolarHBondContact O-N 2.96Å; F685-A688 VanDerWaalsContact O-N 3.08Å; F685-G689 PolarHBondContact O-N 3.21Å; F685-C690 HydrophobicContact CB-CB 4.11Å; F685-C690 WeakPolarHBondContact O-CB 3.43Å; F685-C690 PolarHBondContact O-N 2.95Å; F685-V693 HydrophobicContact CB-CG1 4.16Å; F685-V693 HydrophobicContact CB-CG2 3.84Å
686	W	97.7	Very high	96.8	Very high	3 Å²	3	12.5 Å²	12.5	1%	0.011	7%	0.066	C	C	.	.	H	α-helix	trans	-61.9	-33.8	166.3	-63.9	-31.3	0	0	0	111.9	F323 P682 Q683 A688 G689 N707 K710 F711 M726	F323-W686 HydrophobicContact CD1-CB 4.22Å; F323-W686 AromaticContact CD1-CD1 3.44Å; F323-W686 VanDerWaalsContact CD1-CD1 3.44Å; F323-W686 HydrophobicContact CD1-CG 4.02Å; F323-W686 HydrophobicContact CE1-CB 3.69Å; F323-W686 AromaticContact CE1-CD1 3.8Å; F323-W686 HydrophobicContact CE1-CG 4.01Å; F323-W686 WeakPolarHBondContact CE1-O 3.08Å; F323-W686 AromaticContact CG-CD1 3.98Å; F323-W686 HydrophobicContact CG-CG 4.45Å; F323-W686 HydrophobicContact CZ-CB 3.85Å; F323-W686 HydrophobicContact CZ-CG 4.41Å; F323-W686 WeakPolarHBondContact CZ-O 3.4Å; P682-W686 HydrophobicContact CB-CD2 4.29Å; P682-W686 HydrophobicContact CB-CE3 4.34Å; P682-W686 HydrophobicContact CB-CH2 3.72Å; P682-W686 HydrophobicContact CB-CZ2 3.67Å; P682-W686 HydrophobicContact CB-CZ3 4.07Å; P682-W686 HydrophobicContact CG-CE3 4.48Å; P682-W686 HydrophobicContact CG-CH2 3.56Å; P682-W686 HydrophobicContact CG-CZ2 4.05Å; P682-W686 HydrophobicContact CG-CZ3 3.82Å; P682-W686 PolarHBondContact O-N 3.48Å; Q683-W686 HydrophobicContact CB-CE3 4.25Å; Q683-W686 PolarHBondContact O-N 2.89Å; W686-A688 VanDerWaalsContact C-N 3.26Å; W686-A688 PolarHBondContact O-N 3.12Å; W686-G689 WeakPolarHBondContact O-CA 3.44Å; W686-G689 PolarHBondContact O-N 3.04Å; W686-N707 HydrophobicContact CH2-CB 4.48Å; W686-K710 HydrophobicContact CD2-CD 4.39Å; W686-K710 HydrophobicContact CE3-CD 3.77Å; W686-K710 HydrophobicContact CH2-CD 3.93Å; W686-K710 HydrophobicContact CZ2-CD 4.49Å; W686-K710 HydrophobicContact CZ3-CD 3.52Å; W686-F711 HydrophobicContact CZ2-CE2 4.02Å; W686-M726 WeakPolarHBondContact O-CE 3.4Å
687	N	95.4	Very high	97.1	Very high	8 Å²	8	8.1 Å²	8.1	4%	0.043	4%	0.043	C	C	.	.	H	α-helix	trans	-62.3	-31.9	171.5	-62.8	-15.3	0	0	0	112.7	Q683 F685 G689 M726 P735 G774 L775 L813	Q683-N687 PolarHBondContact NE2-OD1 3.42Å; Q683-N687 PolarHBondContact O-N 2.96Å; Q683-N687 PolarHBondContact O-ND2 3.11Å; Q683-N687 PolarHBondContact O-OD1 3.2Å; Q683-N687 VanDerWaalsContact O-OD1 3.11Å; F685-N687 PolarHBondContact O-N 3.31Å; N687-G689 VanDerWaalsContact C-N 3.26Å; N687-G689 PolarHBondContact O-N 3.49Å; N687-M726 WeakPolarHBondContact O-CE 3.36Å; N687-P735 HydrophobicContact CB-CB 4.09Å; N687-G774 PolarHBondContact ND2-O 3.23Å; N687-G774 PolarHBondContact OD1-O 3.48Å; N687-L775 HydrophobicContact CB-CD2 4.09Å; N687-L813 VanDerWaalsContact OD1-CD2 3.25Å; N687-L813 WeakPolarHBondContact OD1-CD2 3.46Å
688	A	96.1	Very high	97.1	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-2	172.5	0	0	0	0	0	113.4	L650 F657 V658 N661 F685 W686 C690	L650-A688 HydrophobicContact CD1-CB 4Å; F657-A688 HydrophobicContact CD1-CB 4.32Å; V658-A688 WeakPolarHBondContact CA-O 3.32Å; N661-A688 PolarHBondContact ND2-O 2.92Å; F685-A688 CarbonylContact O-C 3.57Å; F685-A688 WeakPolarHBondContact O-CA 3.27Å; F685-A688 WeakPolarHBondContact O-CB 3.43Å; F685-A688 PolarHBondContact O-N 2.96Å; F685-A688 VanDerWaalsContact O-N 3.08Å; W686-A688 VanDerWaalsContact C-N 3.26Å; W686-A688 PolarHBondContact O-N 3.12Å; A688-C690 VanDerWaalsContact C-N 3.33Å
689	G	96.8	Very high	97.1	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.01	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	8.4	-178.1	0	0	0	0	0	115	F685 W686 N687 Q691 K722	F685-G689 PolarHBondContact O-N 3.21Å; W686-G689 WeakPolarHBondContact O-CA 3.44Å; W686-G689 PolarHBondContact O-N 3.04Å; N687-G689 VanDerWaalsContact C-N 3.26Å; N687-G689 PolarHBondContact O-N 3.49Å; G689-Q691 PolarHBondContact O-N 2.97Å; G689-K722 WeakPolarHBondContact O-CD 3.42Å; G689-K722 PolarHBondContact O-NZ 2.68Å
690	C	98.4	Very high	96.9	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.058	C	C	.	.			trans	-62.2	132.8	-178.6	-55.9	0	0	0	0	111	F323 N661 S666 I668 F685 A688 V693	F323-C690 WeakPolarHBondContact CD1-O 3.42Å; N661-C690 PolarHBondContact ND2-N 3.19Å; N661-C690 PolarHBondContact ND2-SG 3.12Å; S666-C690 WeakPolarHBondContact OG-CA 3.22Å; S666-C690 VanDerWaalsContact OG-CB 3.28Å; S666-C690 WeakPolarHBondContact OG-CB 3.42Å; S666-C690 PolarHBondContact OG-SG 2.97Å; S666-C690 VanDerWaalsContact OG-SG 3.37Å; I668-C690 HydrophobicContact CG1-CB 4.03Å; F685-C690 HydrophobicContact CB-CB 4.11Å; F685-C690 WeakPolarHBondContact O-CB 3.43Å; F685-C690 PolarHBondContact O-N 2.95Å; A688-C690 VanDerWaalsContact C-N 3.33Å; C690-V693 HydrophobicContact CB-CG2 3.97Å; C690-V693 WeakPolarHBondContact O-CG2 3.13Å
691	Q	98.5	Very high	96.8	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.066	C	C	.	.	S	Bend	trans	-85.6	-53.5	-169.7	-57.7	87.2	-12	0	0	111.8	A320 Y322 I324 N661 Q664 G689 V693	A320-Q691 PolarHBondContact O-NE2 3.07Å; Y322-Q691 VanDerWaalsContact O-CB 3.22Å; Y322-Q691 WeakPolarHBondContact O-CB 3.22Å; Y322-Q691 WeakPolarHBondContact O-CG 3.48Å; I324-Q691 HydrophobicContact CD1-CB 4.15Å; I324-Q691 HydrophobicContact CG1-CB 4.2Å; I324-Q691 PolarHBondContact N-O 2.6Å; N661-Q691 PolarHBondContact O-NE2 2.77Å; N661-Q691 PolarHBondContact OD1-OE1 2.87Å; Q664-Q691 PolarHBondContact O-NE2 2.96Å; G689-Q691 PolarHBondContact O-N 2.97Å; Q691-V693 PolarHBondContact O-N 3.41Å
692	M	98.4	Very high	96.8	Very high	2 Å²	2	12.6 Å²	12.6	1%	0.01	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	75.9	-176.7	-71.9	169.3	-80.5	0	0	111	I324 S326 C356 I405 M638 M665 S666 R667 I668 S694	I324-M692 HydrophobicContact CB-CG 4.24Å; I324-M692 HydrophobicContact CD1-CG 4.27Å; I324-M692 HydrophobicContact CG2-CG 4.49Å; S326-M692 VanDerWaalsContact OG-CA 3.31Å; S326-M692 WeakPolarHBondContact OG-CA 3.43Å; C356-M692 HydrophobicContact CB-CG 4.24Å; C356-M692 HydrophobicContact CB-SD 4.33Å; I405-M692 HydrophobicContact CD1-SD 3.87Å; I405-M692 HydrophobicContact CG2-SD 4.43Å; M638-M692 HydrophobicContact CE-CE 3.66Å; M665-M692 HydrophobicContact CB-CE 3.71Å; M665-M692 HydrophobicContact CG-CE 4.31Å; M665-M692 HydrophobicContact SD-CE 3.92Å; S666-M692 PolarHBondContact O-N 3.03Å; S666-M692 VanDerWaalsContact O-N 3.1Å; R667-M692 CarbonylContact C-O 3.49Å; R667-M692 VanDerWaalsContact CA-O 3.27Å; R667-M692 WeakPolarHBondContact CA-O 3.43Å; R667-M692 HydrophobicContact CB-CB 3.97Å; R667-M692 HydrophobicContact CG-CB 3.98Å; R667-M692 WeakPolarHBondContact CG-O 3.36Å; I668-M692 PolarHBondContact N-O 3.11Å; M692-S694 PolarHBondContact O-N 3.16Å; M692-S694 VanDerWaalsContact O-N 3.16Å
693	V	98.5	Very high	96.8	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.006	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	86.8	177.7	-174.3	0	0	0	0	108.5	Y680 P682 F685 C690 Q691	Y680-V693 HydrophobicContact CE2-CG1 3.59Å; Y680-V693 VanDerWaalsContact OH-CG1 3.28Å; Y680-V693 WeakPolarHBondContact OH-CG1 3.29Å; P682-V693 HydrophobicContact CB-CG1 3.62Å; F685-V693 HydrophobicContact CB-CG1 4.16Å; F685-V693 HydrophobicContact CB-CG2 3.84Å; C690-V693 HydrophobicContact CB-CG2 3.97Å; C690-V693 WeakPolarHBondContact O-CG2 3.13Å; Q691-V693 PolarHBondContact O-N 3.41Å
694	S	98.3	Very high	96.8	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	131.1	-169.6	-75.9	0	0	0	0	113.4	S326 S327 R667 I668 Y680 M692	S326-S694 WeakPolarHBondContact CB-OG 3.37Å; S326-S694 WeakPolarHBondContact O-CA 3.27Å; S327-S694 VanDerWaalsContact O-CB 3.22Å; S327-S694 WeakPolarHBondContact O-CB 3.4Å; S327-S694 PolarHBondContact O-OG 3.35Å; R667-S694 PolarHBondContact NE-OG 3.11Å; R667-S694 VanDerWaalsContact NH2-CB 3.34Å; R667-S694 PolarHBondContact NH2-OG 2.82Å; R667-S694 VanDerWaalsContact NH2-OG 3.11Å; I668-S694 WeakPolarHBondContact O-CA 3.2Å; I668-S694 VanDerWaalsContact O-CB 3.28Å; I668-S694 WeakPolarHBondContact O-CB 3.06Å; I668-S694 PolarHBondContact O-N 3.49Å; Y680-S694 WeakPolarHBondContact CE1-O 3.41Å; Y680-S694 PolarHBondContact OH-N 3.33Å; Y680-S694 PolarHBondContact OH-O 2.89Å; M692-S694 PolarHBondContact O-N 3.16Å; M692-S694 VanDerWaalsContact O-N 3.16Å
695	L	98.5	Very high	96.9	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	159.6	-177.4	-60.7	-177.6	0	0	0	112.6	S326 S327 H328 N679 Y680 P682 F697 M704 N707	S326-L695 PolarHBondContact O-N 2.84Å; S326-L695 VanDerWaalsContact O-N 3.15Å; S327-L695 CarbonylContact C-O 3.58Å; S327-L695 WeakPolarHBondContact CA-O 3.26Å; H328-L695 PolarHBondContact N-O 2.82Å; N679-L695 HydrophobicContact CB-CD2 4.16Å; N679-L695 WeakPolarHBondContact OD1-CB 3.48Å; Y680-L695 HydrophobicContact CD1-CD2 4.38Å; Y680-L695 HydrophobicContact CE1-CD2 3.91Å; Y680-L695 HydrophobicContact CE2-CD2 4.09Å; P682-L695 HydrophobicContact CB-CD1 4.28Å; P682-L695 HydrophobicContact CB-CD2 4.49Å; P682-L695 HydrophobicContact CG-CD1 4.15Å; L695-F697 WeakPolarHBondContact O-CD2 3.47Å; L695-F697 PolarHBondContact O-N 3.33Å; L695-M704 HydrophobicContact CB-CE 3.49Å; L695-M704 VanDerWaalsContact CB-CE 3.49Å; L695-M704 HydrophobicContact CD1-CE 3.91Å; L695-M704 HydrophobicContact CG-CE 4.38Å; L695-N707 HydrophobicContact CD1-CB 3.77Å
696	N	97.9	Very high	96.9	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.005	6%	0.057	C	C	.	.			trans	-78.2	102	172.3	-66.2	-40.4	0	0	0	109.6	H328 Q336 S677 S678 N679 Q698 T699 M704	H328-N696 PolarHBondContact ND1-OD1 3.13Å; Q336-N696 PolarHBondContact NE2-OD1 2.61Å; S677-N696 VanDerWaalsContact O-CB 3.25Å; S677-N696 WeakPolarHBondContact O-CB 3.41Å; S677-N696 PolarHBondContact O-ND2 2.95Å; S677-N696 VanDerWaalsContact O-ND2 3.13Å; S678-N696 PolarHBondContact O-ND2 3.17Å; S678-N696 VanDerWaalsContact O-ND2 3.08Å; N679-N696 PolarHBondContact ND2-O 2.8Å; N679-N696 WeakPolarHBondContact OD1-CB 3.22Å; N679-N696 PolarHBondContact OD1-N 3.14Å; N696-Q698 VanDerWaalsContact C-N 3.28Å; N696-Q698 VanDerWaalsContact CA-OE1 3.29Å; N696-Q698 PolarHBondContact O-N 3.31Å; N696-T699 PolarHBondContact O-N 3.31Å; N696-M704 WeakPolarHBondContact O-CE 3.3Å
697	F	97.3	Very high	96.9	Very high	6 Å²	6	10.1 Å²	10.1	3%	0.026	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-16.5	-174	-90.7	-124.2	0	0	0	114.1	L106 S326 M345 V349 C354 L695 T699 M704	L106-F697 HydrophobicContact CD1-CB 4.25Å; L106-F697 HydrophobicContact CD1-CD1 3.66Å; L106-F697 HydrophobicContact CD1-CG 4.42Å; S326-F697 WeakPolarHBondContact O-CE2 3.46Å; M345-F697 HydrophobicContact CE-CB 4.02Å; V349-F697 HydrophobicContact CB-CD1 4.3Å; V349-F697 HydrophobicContact CG1-CD1 3.96Å; V349-F697 HydrophobicContact CG1-CE1 4.14Å; V349-F697 HydrophobicContact CG1-CG 4.33Å; V349-F697 HydrophobicContact CG2-CB 3.74Å; V349-F697 HydrophobicContact CG2-CD1 3.78Å; V349-F697 HydrophobicContact CG2-CG 3.96Å; C354-F697 HydrophobicContact CB-CE1 3.91Å; C354-F697 HydrophobicContact CB-CZ 3.98Å; L695-F697 WeakPolarHBondContact O-CD2 3.47Å; L695-F697 PolarHBondContact O-N 3.33Å; F697-T699 PolarHBondContact O-N 2.91Å; F697-M704 HydrophobicContact CB-CE 4.49Å; F697-M704 HydrophobicContact CD1-SD 4.35Å; F697-M704 HydrophobicContact CD2-CE 3.56Å; F697-M704 HydrophobicContact CD2-SD 4.17Å; F697-M704 HydrophobicContact CE1-SD 4.49Å; F697-M704 HydrophobicContact CE2-CE 3.88Å; F697-M704 HydrophobicContact CE2-SD 4.28Å; F697-M704 HydrophobicContact CG-CE 4.03Å; F697-M704 HydrophobicContact CG-SD 4.2Å; F697-M704 HydrophobicContact CZ-SD 4.46Å
698	Q	94.5	Very high	96.9	Very high	18 Å²	18	11 Å²	11	8%	0.084	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-14.3	173.6	68.2	-87.5	48.5	0	0	113.7	V107 G334 M345 S677 N696 P700	V107-Q698 HydrophobicContact CG2-CB 3.78Å; G334-Q698 WeakPolarHBondContact O-CG 3.21Å; G334-Q698 PolarHBondContact O-NE2 3.06Å; M345-Q698 HydrophobicContact CE-CB 3.84Å; S677-Q698 PolarHBondContact OG-NE2 2.85Å; N696-Q698 VanDerWaalsContact C-N 3.28Å; N696-Q698 VanDerWaalsContact CA-OE1 3.29Å; N696-Q698 PolarHBondContact O-N 3.31Å; Q698-P700 WeakPolarHBondContact O-CD 3.32Å
699	T	95.4	Very high	96.8	Very high	31 Å²	31	11 Å²	11	19%	0.19	6%	0.061	C	C	.	.			trans	-112.6	99.4	-173.1	-51.1	0	0	0	0	110	S677 N679 N696 F697 D701 M704	S677-T699 VanDerWaalsContact O-CB 3.3Å; S677-T699 WeakPolarHBondContact O-CB 3.4Å; S677-T699 PolarHBondContact O-OG1 2.7Å; N679-T699 PolarHBondContact ND2-O 3.41Å; N696-T699 PolarHBondContact O-N 3.31Å; F697-T699 PolarHBondContact O-N 2.91Å; T699-D701 HydrophobicContact CG2-CB 4.12Å; T699-D701 PolarHBondContact O-N 3.21Å; T699-M704 WeakPolarHBondContact O-CB 3.26Å
700	P	93.9	Very high	96.7	Very high	44 Å²	44	11.8 Å²	11.8	29%	0.286	6%	0.064	S	C	.	.			trans	-80	42	-174.9	36	-38.6	0	0	0	112.8	Q698 Q705 E850	Q698-P700 WeakPolarHBondContact O-CD 3.32Å; P700-Q705 PolarHBondContact O-NE2 3.04Å; P700-E850 HydrophobicContact CB-CB 4.02Å; P700-E850 HydrophobicContact CG-CB 4.46Å
701	D	95	Very high	96.6	Very high	42 Å²	42	12.2 Å²	12.2	23%	0.225	7%	0.066	C	C	.	.	S	Bend	trans	-70.8	-179.3	179	70	17.4	0	0	0	112.6	N679 T699 A703 M704 Q705	N679-D701 VanDerWaalsContact CB-OD2 3.31Å; N679-D701 WeakPolarHBondContact CB-OD2 3.2Å; N679-D701 PolarHBondContact N-OD2 2.72Å; N679-D701 PolarHBondContact ND2-OD1 3.29Å; N679-D701 VanDerWaalsContact ND2-OD1 3.13Å; N679-D701 PolarHBondContact ND2-OD2 3.44Å; T699-D701 HydrophobicContact CG2-CB 4.12Å; T699-D701 PolarHBondContact O-N 3.21Å; D701-A703 PolarHBondContact O-N 2.83Å; D701-A703 VanDerWaalsContact O-N 3.16Å; D701-A703 WeakPolarHBondContact OD1-CB 3.49Å; D701-A703 PolarHBondContact OD1-N 2.89Å; D701-M704 PolarHBondContact O-N 3.41Å; D701-M704 VanDerWaalsContact O-N 3.13Å; D701-M704 PolarHBondContact OD1-N 2.72Å; D701-Q705 WeakPolarHBondContact O-CB 3.4Å; D701-Q705 VanDerWaalsContact O-CG 3.3Å; D701-Q705 WeakPolarHBondContact O-CG 3.32Å; D701-Q705 PolarHBondContact O-N 3.17Å
702	L	95.7	Very high	96.4	Very high	40 Å²	40	13.1 Å²	13.1	21%	0.209	7%	0.07	C	C	.	.	H	α-helix	trans	-55.4	-33.3	-179.1	174.3	64	0	0	0	113.6	M681 L706 Y773 R817	M681-L702 HydrophobicContact CE-CD2 4.04Å; M681-L702 HydrophobicContact CE-CG 4.18Å; L702-L706 HydrophobicContact CD1-CD1 4.24Å; L702-L706 HydrophobicContact CD1-CG 4.45Å; L702-L706 HydrophobicContact CG-CD1 4.24Å; L702-L706 WeakPolarHBondContact O-CB 3.25Å; L702-L706 WeakPolarHBondContact O-CD1 3.3Å; L702-L706 VanDerWaalsContact O-CG 3.25Å; L702-L706 WeakPolarHBondContact O-CG 3.48Å; L702-L706 PolarHBondContact O-N 3.22Å; L702-L706 VanDerWaalsContact O-N 3.08Å; L702-Y773 HydrophobicContact CD2-CE1 4.34Å; L702-Y773 WeakPolarHBondContact CD2-OH 3.37Å; L702-R817 VanDerWaalsContact CD1-NE 3.31Å
703	A	97	Very high	96.2	Very high	5 Å²	5	13.5 Å²	13.5	4%	0.041	7%	0.072	C	C	.	.	H	α-helix	trans	-76	-39.1	179.4	0	0	0	0	0	111.3	N679 Y680 D701 L706 N707	N679-A703 HydrophobicContact CB-CB 3.6Å; Y680-A703 WeakPolarHBondContact O-CB 3.41Å; D701-A703 PolarHBondContact O-N 2.83Å; D701-A703 VanDerWaalsContact O-N 3.16Å; D701-A703 WeakPolarHBondContact OD1-CB 3.49Å; D701-A703 PolarHBondContact OD1-N 2.89Å; A703-L706 PolarHBondContact O-N 3.08Å; A703-N707 PolarHBondContact O-N 3.29Å
704	M	97.1	Very high	96	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-66.7	-40.7	172.3	-173.1	51	50.3	0	0	112.4	L695 N696 F697 T699 D701 L706 N707 Q708	L695-M704 HydrophobicContact CB-CE 3.49Å; L695-M704 VanDerWaalsContact CB-CE 3.49Å; L695-M704 HydrophobicContact CD1-CE 3.91Å; L695-M704 HydrophobicContact CG-CE 4.38Å; N696-M704 WeakPolarHBondContact O-CE 3.3Å; F697-M704 HydrophobicContact CB-CE 4.49Å; F697-M704 HydrophobicContact CD1-SD 4.35Å; F697-M704 HydrophobicContact CD2-CE 3.56Å; F697-M704 HydrophobicContact CD2-SD 4.17Å; F697-M704 HydrophobicContact CE1-SD 4.49Å; F697-M704 HydrophobicContact CE2-CE 3.88Å; F697-M704 HydrophobicContact CE2-SD 4.28Å; F697-M704 HydrophobicContact CG-CE 4.03Å; F697-M704 HydrophobicContact CG-SD 4.2Å; F697-M704 HydrophobicContact CZ-SD 4.46Å; T699-M704 WeakPolarHBondContact O-CB 3.26Å; D701-M704 PolarHBondContact O-N 3.41Å; D701-M704 VanDerWaalsContact O-N 3.13Å; D701-M704 PolarHBondContact OD1-N 2.72Å; M704-L706 VanDerWaalsContact C-N 3.34Å; M704-L706 PolarHBondContact O-N 2.79Å; M704-N707 WeakPolarHBondContact O-CB 3.32Å; M704-N707 PolarHBondContact O-N 2.74Å; M704-N707 VanDerWaalsContact O-N 3.15Å; M704-N707 HydrophobicContact SD-CB 4.39Å; M704-Q708 HydrophobicContact CG-CG 4.41Å; M704-Q708 WeakPolarHBondContact O-CG 3.01Å; M704-Q708 PolarHBondContact O-N 3.48Å; M704-Q708 HydrophobicContact SD-CG 3.96Å
705	Q	97	Very high	95.7	Very high	10 Å²	10	14.5 Å²	14.5	5%	0.047	8%	0.082	C	C	.	.	H	α-helix	trans	-53.9	-50.9	171.3	-73.3	164.2	37.2	0	0	110.4	P700 D701 N707 Q708 G709 I832 E850	P700-Q705 PolarHBondContact O-NE2 3.04Å; D701-Q705 WeakPolarHBondContact O-CB 3.4Å; D701-Q705 VanDerWaalsContact O-CG 3.3Å; D701-Q705 WeakPolarHBondContact O-CG 3.32Å; D701-Q705 PolarHBondContact O-N 3.17Å; Q705-N707 VanDerWaalsContact C-N 3.33Å; Q705-N707 PolarHBondContact O-N 3.4Å; Q705-Q708 PolarHBondContact O-N 3.13Å; Q705-G709 PolarHBondContact O-N 2.65Å; Q705-I832 HydrophobicContact CB-CD1 4.31Å; Q705-I832 WeakPolarHBondContact O-CD1 3.29Å; Q705-E850 WeakPolarHBondContact CG-O 3.44Å
706	L	97.1	Very high	95.5	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.01	9%	0.087	C	C	.	.	H	α-helix	trans	-61.4	-37.4	177.2	-73.9	166.4	0	0	0	112.9	M681 L702 A703 M704 K710 Y773 V815 I832	M681-L706 HydrophobicContact CE-CD1 3.76Å; M681-L706 HydrophobicContact SD-CD1 3.53Å; M681-L706 VanDerWaalsContact SD-CD1 3.53Å; L702-L706 HydrophobicContact CD1-CD1 4.24Å; L702-L706 HydrophobicContact CD1-CG 4.45Å; L702-L706 HydrophobicContact CG-CD1 4.24Å; L702-L706 WeakPolarHBondContact O-CB 3.25Å; L702-L706 WeakPolarHBondContact O-CD1 3.3Å; L702-L706 VanDerWaalsContact O-CG 3.25Å; L702-L706 WeakPolarHBondContact O-CG 3.48Å; L702-L706 PolarHBondContact O-N 3.22Å; L702-L706 VanDerWaalsContact O-N 3.08Å; A703-L706 PolarHBondContact O-N 3.08Å; M704-L706 VanDerWaalsContact C-N 3.34Å; M704-L706 PolarHBondContact O-N 2.79Å; L706-K710 VanDerWaalsContact O-CB 3.23Å; L706-K710 WeakPolarHBondContact O-CB 3.3Å; L706-K710 PolarHBondContact O-N 3.33Å; L706-Y773 HydrophobicContact CD1-CD1 3.63Å; L706-Y773 HydrophobicContact CD1-CD2 4.16Å; L706-Y773 HydrophobicContact CD1-CE1 3.72Å; L706-Y773 HydrophobicContact CD1-CE2 4.24Å; L706-Y773 HydrophobicContact CD1-CG 3.9Å; L706-Y773 HydrophobicContact CD2-CD2 3.78Å; L706-Y773 HydrophobicContact CD2-CE2 4.21Å; L706-Y773 HydrophobicContact CD2-CG 4.05Å; L706-V815 HydrophobicContact CD2-CG2 3.82Å; L706-I832 HydrophobicContact CD2-CD1 4.14Å; L706-I832 HydrophobicContact CD2-CG1 4.21Å
707	N	97.6	Very high	95.4	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.011	9%	0.088	C	C	.	.	H	α-helix	trans	-64.1	-56.9	175.3	-172.3	69.1	0	0	0	112	W686 L695 A703 M704 Q705 G709 K710 F711	W686-N707 HydrophobicContact CH2-CB 4.48Å; L695-N707 HydrophobicContact CD1-CB 3.77Å; A703-N707 PolarHBondContact O-N 3.29Å; M704-N707 WeakPolarHBondContact O-CB 3.32Å; M704-N707 PolarHBondContact O-N 2.74Å; M704-N707 VanDerWaalsContact O-N 3.15Å; M704-N707 HydrophobicContact SD-CB 4.39Å; Q705-N707 VanDerWaalsContact C-N 3.33Å; Q705-N707 PolarHBondContact O-N 3.4Å; N707-G709 VanDerWaalsContact C-N 3.34Å; N707-G709 PolarHBondContact O-N 2.85Å; N707-K710 PolarHBondContact O-N 3.48Å; N707-F711 WeakPolarHBondContact O-CD2 3.48Å; N707-F711 PolarHBondContact O-N 3.17Å; N707-F711 WeakPolarHBondContact OD1-CD2 3.45Å; N707-F711 VanDerWaalsContact OD1-CE2 3.3Å; N707-F711 WeakPolarHBondContact OD1-CE2 3.41Å
708	Q	95.3	Very high	95.4	Very high	26 Å²	26	15.1 Å²	15.1	12%	0.121	9%	0.087	C	C	.	.	H	α-helix	trans	-62.8	-40.3	-178.8	-67	175.7	-10.3	0	0	111.9	M704 Q705 K710 E712 G851 N852	M704-Q708 HydrophobicContact CG-CG 4.41Å; M704-Q708 WeakPolarHBondContact O-CG 3.01Å; M704-Q708 PolarHBondContact O-N 3.48Å; M704-Q708 HydrophobicContact SD-CG 3.96Å; Q705-Q708 PolarHBondContact O-N 3.13Å; Q708-K710 VanDerWaalsContact C-N 3.34Å; Q708-K710 PolarHBondContact O-N 3.04Å; Q708-E712 PolarHBondContact O-N 3.23Å; Q708-G851 PolarHBondContact OE1-O 2.79Å; Q708-N852 HydrophobicContact CB-CB 3.72Å
709	G	94.9	Very high	95.5	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-69.4	-25.4	176.6	0	0	0	0	0	114.4	Q705 N707 Y713	Q705-G709 PolarHBondContact O-N 2.65Å; N707-G709 VanDerWaalsContact C-N 3.34Å; N707-G709 PolarHBondContact O-N 2.85Å; G709-Y713 VanDerWaalsContact O-CE2 3.26Å; G709-Y713 WeakPolarHBondContact O-CE2 3.42Å
710	K	94.7	Very high	95.7	Very high	17 Å²	17	13.4 Å²	13.4	7%	0.074	8%	0.077	C	C	.	.	H	α-helix	trans	-82.5	-42.6	174.3	-160.5	-176.5	-173.8	81.3	0	111.3	W686 L706 N707 Q708 E712 L720 L813 V815	W686-K710 HydrophobicContact CD2-CD 4.39Å; W686-K710 HydrophobicContact CE3-CD 3.77Å; W686-K710 HydrophobicContact CH2-CD 3.93Å; W686-K710 HydrophobicContact CZ2-CD 4.49Å; W686-K710 HydrophobicContact CZ3-CD 3.52Å; L706-K710 VanDerWaalsContact O-CB 3.23Å; L706-K710 WeakPolarHBondContact O-CB 3.3Å; L706-K710 PolarHBondContact O-N 3.33Å; N707-K710 PolarHBondContact O-N 3.48Å; Q708-K710 VanDerWaalsContact C-N 3.34Å; Q708-K710 PolarHBondContact O-N 3.04Å; K710-E712 VanDerWaalsContact C-N 3.32Å; K710-E712 PolarHBondContact O-N 3.46Å; K710-L720 HydrophobicContact CD-CD1 4.37Å; K710-L720 HydrophobicContact CG-CD1 3.86Å; K710-L720 WeakPolarHBondContact O-CD1 3.17Å; K710-L813 PolarHBondContact NZ-O 3.35Å; K710-V815 HydrophobicContact CG-CG1 4.47Å
711	F	96.3	Very high	95.8	Very high	10 Å²	10	12.9 Å²	12.9	4%	0.044	7%	0.072	C	C	.	.	H	α-helix	trans	-80.9	-1.1	-180	-75	-73	0	0	0	115.2	F323 S325 W686 N707 Y713 C716 G718 L720	F323-F711 HydrophobicContact CB-CZ 4.07Å; S325-F711 VanDerWaalsContact N-CZ 3.28Å; W686-F711 HydrophobicContact CZ2-CE2 4.02Å; N707-F711 WeakPolarHBondContact O-CD2 3.48Å; N707-F711 PolarHBondContact O-N 3.17Å; N707-F711 WeakPolarHBondContact OD1-CD2 3.45Å; N707-F711 VanDerWaalsContact OD1-CE2 3.3Å; N707-F711 WeakPolarHBondContact OD1-CE2 3.41Å; F711-Y713 PolarHBondContact O-N 2.98Å; F711-C716 WeakPolarHBondContact O-CA 3.12Å; F711-G718 WeakPolarHBondContact CE1-O 3.4Å; F711-L720 HydrophobicContact CD1-CD1 3.61Å; F711-L720 HydrophobicContact CD1-CG 3.71Å; F711-L720 HydrophobicContact CE1-CB 4.26Å; F711-L720 HydrophobicContact CE1-CD1 3.69Å; F711-L720 HydrophobicContact CE1-CG 3.72Å; F711-L720 HydrophobicContact CG-CD1 4.14Å; F711-L720 HydrophobicContact CZ-CD1 4.27Å
712	E	94.2	Very high	95.9	Very high	19 Å²	19	11 Å²	11	9%	0.089	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-30.1	167.6	-171.3	-175.5	156.7	0	0	112.5	N140 Q708 K710 C716 R831 R848 N852	N140-E712 VanDerWaalsContact CG-OE1 3.3Å; N140-E712 PolarHBondContact ND2-OE1 3.18Å; N140-E712 PolarHBondContact OD1-OE1 2.78Å; Q708-E712 PolarHBondContact O-N 3.23Å; K710-E712 VanDerWaalsContact C-N 3.32Å; K710-E712 PolarHBondContact O-N 3.46Å; E712-C716 PolarHBondContact O-N 2.96Å; E712-R831 IonicContact OE1-CZ 3.73Å; E712-R831 IonicContact OE1-NH2 2.69Å; E712-R831 PolarHBondContact OE1-NH2 3.3Å; E712-R831 IonicContact OE2-CZ 3.57Å; E712-R831 IonicContact OE2-NH2 2.73Å; E712-R831 PolarHBondContact OE2-NH2 3.16Å; E712-R848 IonicContact OE1-CZ 3.42Å; E712-R848 IonicContact OE1-NE 3.13Å; E712-R848 PolarHBondContact OE1-NE 2.69Å; E712-R848 IonicContact OE1-NH2 3.94Å; E712-R848 PolarHBondContact OE1-NH2 3.28Å; E712-R848 IonicContact OE2-CZ 2.72Å; E712-R848 IonicContact OE2-NE 3.76Å; E712-R848 PolarHBondContact OE2-NE 3.2Å; E712-R848 IonicContact OE2-NH2 3.93Å; E712-N852 PolarHBondContact OE2-ND2 3.13Å
713	Y	93.4	Very high	95.8	Very high	10 Å²	10	9.9 Å²	9.9	4%	0.039	6%	0.057	C	C	.	.	S	Bend	trans	-82.2	171.7	-176.5	-62.7	-92.4	0	0	0	112.2	V304 R308 L309 G709 F711 G715 C716 I832 P834	V304-Y713 HydrophobicContact CG1-CE1 4.49Å; V304-Y713 HydrophobicContact CG2-CE1 4.25Å; R308-Y713 HydrophobicContact CB-CD1 4.14Å; L309-Y713 HydrophobicContact CD2-CD1 4.03Å; L309-Y713 HydrophobicContact CD2-CE1 3.96Å; G709-Y713 VanDerWaalsContact O-CE2 3.26Å; G709-Y713 WeakPolarHBondContact O-CE2 3.42Å; F711-Y713 PolarHBondContact O-N 2.98Å; Y713-G715 VanDerWaalsContact C-N 3.32Å; Y713-G715 PolarHBondContact O-N 3.11Å; Y713-C716 PolarHBondContact O-N 2.9Å; Y713-I832 PolarHBondContact OH-O 3.18Å; Y713-P834 HydrophobicContact CD2-CG 3.82Å; Y713-P834 HydrophobicContact CE1-CG 4.4Å; Y713-P834 HydrophobicContact CE2-CG 3.64Å; Y713-P834 HydrophobicContact CG-CG 4.31Å; Y713-P834 WeakPolarHBondContact OH-CD 3.22Å
714	N	94.8	Very high	95.4	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	58	38.9	-176.6	-161.8	40.2	0	0	0	113.4	R308 E310 Y312 Q313 C717 Y719 L720	R308-N714 PolarHBondContact O-N 2.83Å; E310-N714 CarbonylContact O-C 3.27Å; E310-N714 VanDerWaalsContact O-C 3.31Å; E310-N714 VanDerWaalsContact O-CA 3.23Å; E310-N714 WeakPolarHBondContact O-CA 3.47Å; Y312-N714 HydrophobicContact CD1-CB 4.47Å; Y312-N714 HydrophobicContact CE1-CB 4.25Å; Y312-N714 PolarHBondContact N-OD1 3.07Å; Q313-N714 HydrophobicContact CG-CB 4.39Å; Q313-N714 PolarHBondContact N-OD1 3Å; N714-C717 PolarHBondContact ND2-SG 3.4Å; N714-C717 WeakPolarHBondContact O-CB 3Å; N714-C717 PolarHBondContact O-SG 3.02Å; N714-Y719 PolarHBondContact ND2-O 3.21Å; N714-L720 HydrophobicContact CB-CD2 3.79Å
715	G	92.1	Very high	95	Very high	22 Å²	22	14.6 Å²	14.6	23%	0.227	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	79.2	18.3	178.4	0	0	0	0	0	115.2	L309 E310 Y713 C717	L309-G715 WeakPolarHBondContact O-CA 3.49Å; L309-G715 PolarHBondContact O-N 3.3Å; L309-G715 VanDerWaalsContact O-N 3.12Å; E310-G715 PolarHBondContact O-N 3.19Å; E310-G715 VanDerWaalsContact O-N 3.14Å; Y713-G715 VanDerWaalsContact C-N 3.32Å; Y713-G715 PolarHBondContact O-N 3.11Å; G715-C717 PolarHBondContact O-N 2.64Å; G715-C717 VanDerWaalsContact O-N 3.14Å
716	C	93.7	Very high	94.7	Very high	13 Å²	13	14.1 Å²	14.1	9%	0.088	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	55.6	24	-171.6	-160.1	0	0	0	0	113.4	F136 F711 E712 Y713 G718	F136-C716 HydrophobicContact CD1-CB 3.94Å; F136-C716 HydrophobicContact CD2-CB 4.15Å; F136-C716 HydrophobicContact CE1-CB 3.87Å; F136-C716 HydrophobicContact CE2-CB 4.09Å; F136-C716 HydrophobicContact CG-CB 4.08Å; F136-C716 HydrophobicContact CZ-CB 3.95Å; F711-C716 WeakPolarHBondContact O-CA 3.12Å; E712-C716 PolarHBondContact O-N 2.96Å; Y713-C716 PolarHBondContact O-N 2.9Å; C716-G718 PolarHBondContact O-N 3.2Å
717	C	95.8	Very high	94.6	Very high	5 Å²	5	15.6 Å²	15.6	3%	0.034	8%	0.084	C	C	.	.			trans	-75.5	-8.5	-166	75.1	0	0	0	0	114.5	L311 S400 Y402 N714 G715 Y719	L311-C717 HydrophobicContact CD1-CB 4.3Å; S400-C717 WeakPolarHBondContact CB-O 3.41Å; S400-C717 WeakPolarHBondContact OG-CA 3.44Å; S400-C717 PolarHBondContact OG-O 3.39Å; Y402-C717 HydrophobicContact CD2-CB 3.87Å; Y402-C717 HydrophobicContact CE2-CB 4.28Å; N714-C717 PolarHBondContact ND2-SG 3.4Å; N714-C717 WeakPolarHBondContact O-CB 3Å; N714-C717 PolarHBondContact O-SG 3.02Å; G715-C717 PolarHBondContact O-N 2.64Å; G715-C717 VanDerWaalsContact O-N 3.14Å; C717-Y719 VanDerWaalsContact C-N 3.31Å; C717-Y719 PolarHBondContact SG-N 2.93Å; C717-Y719 PolarHBondContact SG-O 2.8Å
718	G	97.2	Very high	94.3	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.01	10%	0.104	C	C	.	.	S	Bend	trans	82.5	0.7	-179.2	0	0	0	0	0	115.7	S325 G353 F711 C716	S325-G718 PolarHBondContact N-O 3.41Å; G353-G718 WeakPolarHBondContact O-CA 3.45Å; F711-G718 WeakPolarHBondContact CE1-O 3.4Å; C716-G718 PolarHBondContact O-N 3.2Å
719	Y	98.5	Very high	94	Very high	1 Å²	1	25.2 Å²	25.2	0%	0.004	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	130.2	178.2	-76.6	-90.9	0	0	0	110.5	M315 L319 Y322 F323 I324 R355 Y402 P403 P451 N714 C717	M315-Y719 HydrophobicContact CE-CG 4.45Å; L319-Y719 HydrophobicContact CD2-CE1 3.65Å; Y322-Y719 HydrophobicContact CD1-CD1 4.5Å; Y322-Y719 HydrophobicContact CG-CD1 4.13Å; F323-Y719 WeakPolarHBondContact O-CA 3.5Å; I324-Y719 HydrophobicContact CB-CE1 4.38Å; I324-Y719 HydrophobicContact CD1-CD1 4.49Å; I324-Y719 HydrophobicContact CD1-CE1 3.72Å; I324-Y719 HydrophobicContact CG1-CD1 3.94Å; I324-Y719 HydrophobicContact CG1-CE1 3.6Å; I324-Y719 HydrophobicContact CG2-CE1 4.07Å; R355-Y719 HydrophobicContact CB-CD2 4.49Å; R355-Y719 HydrophobicContact CB-CE2 3.79Å; R355-Y719 HydrophobicContact CG-CD2 3.8Å; R355-Y719 HydrophobicContact CG-CE2 3.47Å; R355-Y719 VanDerWaalsContact CG-CE2 3.47Å; Y402-Y719 HydrophobicContact CG-CD2 4.33Å; P403-Y719 HydrophobicContact CG-CE2 4.33Å; P403-Y719 PolarHBondContact O-OH 2.87Å; P451-Y719 HydrophobicContact CG-CD1 4.16Å; P451-Y719 HydrophobicContact CG-CE1 4.42Å; N714-Y719 PolarHBondContact ND2-O 3.21Å; C717-Y719 VanDerWaalsContact C-N 3.31Å; C717-Y719 PolarHBondContact SG-N 2.93Å; C717-Y719 PolarHBondContact SG-O 2.8Å
720	L	97.8	Very high	93.7	Very high	13 Å²	13	30 Å²	30	7%	0.068	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	122.9	175.7	-63.8	171.4	0	0	0	109.9	Y322 F323 K710 F711 N714	Y322-L720 CarbonylContact C-O 3.57Å; Y322-L720 VanDerWaalsContact CA-O 3.29Å; Y322-L720 WeakPolarHBondContact CA-O 3.3Å; F323-L720 HydrophobicContact CB-CB 4.42Å; F323-L720 PolarHBondContact N-O 2.93Å; F323-L720 PolarHBondContact O-N 3.47Å; K710-L720 HydrophobicContact CD-CD1 4.37Å; K710-L720 HydrophobicContact CG-CD1 3.86Å; K710-L720 WeakPolarHBondContact O-CD1 3.17Å; F711-L720 HydrophobicContact CD1-CD1 3.61Å; F711-L720 HydrophobicContact CD1-CG 3.71Å; F711-L720 HydrophobicContact CE1-CB 4.26Å; F711-L720 HydrophobicContact CE1-CD1 3.69Å; F711-L720 HydrophobicContact CE1-CG 3.72Å; F711-L720 HydrophobicContact CG-CD1 4.14Å; F711-L720 HydrophobicContact CZ-CD1 4.27Å; N714-L720 HydrophobicContact CB-CD2 3.79Å
721	L	97.8	Very high	93.3	Very high	33 Å²	33	33.2 Å²	33.2	17%	0.173	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	133.1	179.9	-176.9	63.8	0	0	0	110.8	Q313 D314 Q317 H321 Y322	Q313-L721 HydrophobicContact CB-CB 4.27Å; D314-L721 HydrophobicContact CB-CD2 4.04Å; Q317-L721 HydrophobicContact CB-CD1 4.18Å; Q317-L721 HydrophobicContact CG-CD1 3.85Å; H321-L721 HydrophobicContact CB-CD1 4.22Å; Y322-L721 HydrophobicContact CD1-CB 4.13Å; Y322-L721 HydrophobicContact CD1-CD1 4.31Å; Y322-L721 HydrophobicContact CE1-CB 3.88Å; Y322-L721 HydrophobicContact CE1-CD1 3.81Å; Y322-L721 HydrophobicContact CE1-CG 4.43Å; Y322-L721 HydrophobicContact CE2-CD1 4.36Å
722	K	96.9	Very high	92.8	Very high	2 Å²	2	38 Å²	38	1%	0.009	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-74.1	148.5	176.9	-66.3	-170.4	-71.4	177.3	0	111.6	A320 H321 F323 N661 G689 M726 R727	A320-K722 WeakPolarHBondContact O-CE 3.39Å; A320-K722 PolarHBondContact O-NZ 2.74Å; H321-K722 VanDerWaalsContact O-CB 3.27Å; H321-K722 WeakPolarHBondContact O-CB 3.45Å; H321-K722 VanDerWaalsContact O-CG 3.3Å; H321-K722 WeakPolarHBondContact O-CG 3.46Å; H321-K722 PolarHBondContact O-N 2.93Å; F323-K722 HydrophobicContact CD1-CD 3.97Å; F323-K722 HydrophobicContact CD1-CG 3.95Å; F323-K722 HydrophobicContact CD2-CG 3.95Å; F323-K722 HydrophobicContact CE1-CD 3.6Å; F323-K722 HydrophobicContact CE1-CG 3.75Å; F323-K722 HydrophobicContact CE2-CB 4.47Å; F323-K722 HydrophobicContact CE2-CD 4.49Å; F323-K722 HydrophobicContact CE2-CG 3.75Å; F323-K722 HydrophobicContact CG-CG 4.06Å; F323-K722 HydrophobicContact CZ-CB 4.49Å; F323-K722 HydrophobicContact CZ-CD 3.9Å; F323-K722 HydrophobicContact CZ-CG 3.65Å; N661-K722 PolarHBondContact O-NZ 2.77Å; G689-K722 WeakPolarHBondContact O-CD 3.42Å; G689-K722 PolarHBondContact O-NZ 2.68Å; K722-M726 HydrophobicContact CB-CB 4.17Å; K722-R727 HydrophobicContact CB-CG 4.04Å; K722-R727 WeakPolarHBondContact O-CD 3.37Å; K722-R727 PolarHBondContact O-NE 3.48Å
723	P	92.6	Very high	92.5	Very high	16 Å²	16	37.4 Å²	37.4	10%	0.104	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-54.6	148.9	172.8	-26.9	35.3	0	0	0	113.5	F725 M726 D812	P723-F725 HydrophobicContact CB-CD1 4.23Å; P723-F725 HydrophobicContact CB-CE1 3.42Å; P723-F725 VanDerWaalsContact CB-CE1 3.42Å; P723-F725 HydrophobicContact CB-CE2 4.04Å; P723-F725 HydrophobicContact CB-CZ 3.28Å; P723-F725 HydrophobicContact CG-CZ 4.02Å; P723-F725 PolarHBondContact O-N 3.43Å; P723-M726 HydrophobicContact CB-CG 4.38Å; P723-M726 HydrophobicContact CG-SD 4.35Å; P723-M726 WeakPolarHBondContact O-CA 3.44Å; P723-M726 WeakPolarHBondContact O-CB 3.32Å; P723-M726 PolarHBondContact O-N 2.72Å; P723-D812 HydrophobicContact CB-CB 4.49Å; P723-D812 HydrophobicContact CG-CB 4.11Å
724	D	90	Very high	92.3	Very high	89 Å²	89	39.8 Å²	39.8	48%	0.476	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-52.6	-42.8	-168.2	-78.4	34.6	0	0	0	115.4	M726 R727 R728	D724-M726 PolarHBondContact O-N 3.33Å; D724-R727 VanDerWaalsContact CG-NH2 3.32Å; D724-R727 PolarHBondContact O-N 3.01Å; D724-R727 IonicContact OD1-CZ 3.96Å; D724-R727 IonicContact OD1-NH2 3.7Å; D724-R727 PolarHBondContact OD1-NH2 3.08Å; D724-R727 IonicContact OD2-NH2 2.67Å; D724-R728 WeakPolarHBondContact O-CB 3.42Å; D724-R728 WeakPolarHBondContact O-CG 3.48Å; D724-R728 PolarHBondContact O-N 3.38Å
725	F	86.9	Confident	92	Very high	16 Å²	16	39.9 Å²	39.9	7%	0.07	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-67.2	-18.9	178.6	49.7	-89.6	0	0	0	113.1	P723 R727 R731 F733 V744 L810	P723-F725 HydrophobicContact CB-CD1 4.23Å; P723-F725 HydrophobicContact CB-CE1 3.42Å; P723-F725 VanDerWaalsContact CB-CE1 3.42Å; P723-F725 HydrophobicContact CB-CE2 4.04Å; P723-F725 HydrophobicContact CB-CZ 3.28Å; P723-F725 HydrophobicContact CG-CZ 4.02Å; P723-F725 PolarHBondContact O-N 3.43Å; F725-R727 VanDerWaalsContact C-N 3.33Å; F725-R731 HydrophobicContact CB-CB 4.4Å; F725-F733 HydrophobicContact CD2-CB 4.19Å; F725-F733 HydrophobicContact CD2-CD1 4.15Å; F725-F733 AromaticContact CD2-CD2 3.86Å; F725-F733 HydrophobicContact CD2-CD2 3.86Å; F725-F733 HydrophobicContact CD2-CE2 4.33Å; F725-F733 AromaticContact CD2-CG 3.78Å; F725-F733 HydrophobicContact CD2-CG 3.78Å; F725-F733 HydrophobicContact CE2-CD1 4.36Å; F725-F733 HydrophobicContact CE2-CD2 4.18Å; F725-F733 HydrophobicContact CE2-CE1 4.34Å; F725-F733 HydrophobicContact CE2-CE2 4.18Å; F725-F733 HydrophobicContact CE2-CG 4.29Å; F725-F733 HydrophobicContact CE2-CZ 4.26Å; F725-V744 HydrophobicContact CD1-CG2 3.78Å; F725-V744 HydrophobicContact CE1-CG2 3.7Å; F725-L810 HydrophobicContact CE1-CD1 3.72Å; F725-L810 HydrophobicContact CE2-CD1 3.78Å; F725-L810 HydrophobicContact CE2-CD2 3.77Å; F725-L810 HydrophobicContact CE2-CG 4.32Å; F725-L810 HydrophobicContact CZ-CD1 3.15Å; F725-L810 HydrophobicContact CZ-CD2 3.66Å; F725-L810 HydrophobicContact CZ-CG 3.76Å
726	M	92.3	Very high	91.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-90.1	4.3	173.7	-46.4	-167.3	79.3	0	0	113.4	F323 K662 W686 N687 K722 P723 D724 F733 L813	F323-M726 HydrophobicContact CZ-SD 4.5Å; K662-M726 WeakPolarHBondContact CG-O 3.24Å; W686-M726 WeakPolarHBondContact O-CE 3.4Å; N687-M726 WeakPolarHBondContact O-CE 3.36Å; K722-M726 HydrophobicContact CB-CB 4.17Å; P723-M726 HydrophobicContact CB-CG 4.38Å; P723-M726 HydrophobicContact CG-SD 4.35Å; P723-M726 WeakPolarHBondContact O-CA 3.44Å; P723-M726 WeakPolarHBondContact O-CB 3.32Å; P723-M726 PolarHBondContact O-N 2.72Å; D724-M726 PolarHBondContact O-N 3.33Å; M726-F733 HydrophobicContact CE-CD1 4.38Å; M726-F733 HydrophobicContact CE-CE1 4.14Å; M726-L813 HydrophobicContact SD-CD2 4.31Å
727	R	94.3	Very high	91.3	Very high	32 Å²	32	43.5 Å²	43.5	12%	0.121	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.4	-45	179	-59.8	-171.9	-68.9	122.3	-6.3	111.2	Q317 H321 K722 D724 F725	Q317-R727 VanDerWaalsContact CD-NH1 3.32Å; H321-R727 HydrophobicContact CB-CG 3.98Å; K722-R727 HydrophobicContact CB-CG 4.04Å; K722-R727 WeakPolarHBondContact O-CD 3.37Å; K722-R727 PolarHBondContact O-NE 3.48Å; D724-R727 VanDerWaalsContact CG-NH2 3.32Å; D724-R727 PolarHBondContact O-N 3.01Å; D724-R727 IonicContact OD1-CZ 3.96Å; D724-R727 IonicContact OD1-NH2 3.7Å; D724-R727 PolarHBondContact OD1-NH2 3.08Å; D724-R727 IonicContact OD2-NH2 2.67Å; F725-R727 VanDerWaalsContact C-N 3.33Å
728	R	91.9	Very high	90.6	Very high	114 Å²	114	50.1 Å²	50.1	43%	0.43	26%	0.256	S	S	.	.			trans	-64.3	129.2	-177	-76.9	178.5	70.1	142.5	0.3	113.4	K662 D724 D730 R731	K662-R728 WeakPolarHBondContact CD-O 3.4Å; K662-R728 WeakPolarHBondContact CE-O 3.49Å; K662-R728 PolarHBondContact NZ-O 3.42Å; D724-R728 WeakPolarHBondContact O-CB 3.42Å; D724-R728 WeakPolarHBondContact O-CG 3.48Å; D724-R728 PolarHBondContact O-N 3.38Å; R728-D730 WeakPolarHBondContact CB-OD1 3.31Å; R728-D730 IonicContact CZ-OD1 2.69Å; R728-D730 IonicContact CZ-OD2 3.83Å; R728-D730 IonicContact NE-OD1 3.22Å; R728-D730 PolarHBondContact NE-OD1 2.83Å; R728-D730 IonicContact NE-OD2 3.25Å; R728-D730 IonicContact NH2-OD1 3.64Å; R728-D730 PolarHBondContact NH2-OD1 3.35Å; R728-D730 IonicContact NH2-OD2 3.71Å; R728-D730 PolarHBondContact NH2-OD2 3.28Å; R728-R731 HydrophobicContact CB-CB 4.19Å; R728-R731 HydrophobicContact CB-CG 4.15Å
729	S	87.8	Confident	89.6	Confident	117 Å²	117	54.6 Å²	54.6	82%	0.818	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-30.5	174.3	49	0	0	0	0	113.1	R731	S729-R731 VanDerWaalsContact C-N 3.25Å; S729-R731 PolarHBondContact O-N 2.96Å
730	D	88.3	Confident	88.4	Confident	99 Å²	99	57.2 Å²	57.2	53%	0.529	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	1.9	-179.1	73.6	-54.6	0	0	0	114.6	R728	R728-D730 WeakPolarHBondContact CB-OD1 3.31Å; R728-D730 IonicContact CZ-OD1 2.69Å; R728-D730 IonicContact CZ-OD2 3.83Å; R728-D730 IonicContact NE-OD1 3.22Å; R728-D730 PolarHBondContact NE-OD1 2.83Å; R728-D730 IonicContact NE-OD2 3.25Å; R728-D730 IonicContact NH2-OD1 3.64Å; R728-D730 PolarHBondContact NH2-OD1 3.35Å; R728-D730 IonicContact NH2-OD2 3.71Å; R728-D730 PolarHBondContact NH2-OD2 3.28Å
731	R	87.2	Confident	87.4	Confident	85 Å²	85	57.6 Å²	57.6	32%	0.321	30%	0.303	S	S	.	.			trans	-123.3	118.7	-177.4	-68.3	-57.5	-160.9	148.9	-4	111.4	K662 F725 R728 S729 D742	K662-R731 PolarHBondContact NZ-O 2.97Å; F725-R731 HydrophobicContact CB-CB 4.4Å; R728-R731 HydrophobicContact CB-CB 4.19Å; R728-R731 HydrophobicContact CB-CG 4.15Å; S729-R731 VanDerWaalsContact C-N 3.25Å; S729-R731 PolarHBondContact O-N 2.96Å; R731-D742 IonicContact CZ-OD2 2.79Å; R731-D742 IonicContact NH1-OD2 3.48Å; R731-D742 PolarHBondContact NH1-OD2 2.69Å; R731-D742 IonicContact NH2-OD2 3.8Å; R731-D742 PolarHBondContact NH2-OD2 3.09Å
732	T	85.3	Confident	86.2	Confident	111 Å²	111	61.6 Å²	61.6	68%	0.681	33%	0.325	S	S	*	.			trans	-81.8	149.8	165.7	48	0	0	0	0	110.6
733	F	87.8	Confident	85.1	Confident	7 Å²	7	64.9 Å²	64.9	3%	0.031	36%	0.359	C	S	.	.			trans	-146.3	131.4	178.7	171.1	-112.6	0	0	0	109.8	V658 F725 M726 P735 V741 L775 L810	V658-F733 HydrophobicContact CG1-CB 4.34Å; V658-F733 HydrophobicContact CG1-CD1 4.12Å; V658-F733 HydrophobicContact CG2-CD1 4.15Å; F725-F733 HydrophobicContact CD2-CB 4.19Å; F725-F733 HydrophobicContact CD2-CD1 4.15Å; F725-F733 AromaticContact CD2-CD2 3.86Å; F725-F733 HydrophobicContact CD2-CD2 3.86Å; F725-F733 HydrophobicContact CD2-CE2 4.33Å; F725-F733 AromaticContact CD2-CG 3.78Å; F725-F733 HydrophobicContact CD2-CG 3.78Å; F725-F733 HydrophobicContact CE2-CD1 4.36Å; F725-F733 HydrophobicContact CE2-CD2 4.18Å; F725-F733 HydrophobicContact CE2-CE1 4.34Å; F725-F733 HydrophobicContact CE2-CE2 4.18Å; F725-F733 HydrophobicContact CE2-CG 4.29Å; F725-F733 HydrophobicContact CE2-CZ 4.26Å; M726-F733 HydrophobicContact CE-CD1 4.38Å; M726-F733 HydrophobicContact CE-CE1 4.14Å; F733-P735 HydrophobicContact CE1-CB 3.98Å; F733-P735 HydrophobicContact CZ-CB 4.3Å; F733-V741 HydrophobicContact CD2-CG1 4.32Å; F733-V741 HydrophobicContact CD2-CG2 3.78Å; F733-V741 HydrophobicContact CE2-CG2 3.62Å; F733-L775 HydrophobicContact CE2-CD1 4.32Å; F733-L775 HydrophobicContact CZ-CD1 4.04Å; F733-L775 HydrophobicContact CZ-CD2 3.87Å; F733-L810 HydrophobicContact CE2-CD2 4.39Å; F733-L810 HydrophobicContact CZ-CD2 3.98Å
734	D	89.5	Confident	84.7	Confident	60 Å²	60	65.3 Å²	65.3	32%	0.321	36%	0.361	S	S	.	.			trans	-107.1	115.6	172.8	174.2	8.1	0	0	0	108.9	I655 F736 S737	I655-D734 HydrophobicContact CD1-CB 4.15Å; I655-D734 HydrophobicContact CG1-CB 4.07Å; D734-F736 PolarHBondContact O-N 2.74Å; D734-F736 VanDerWaalsContact O-N 3.15Å; D734-F736 PolarHBondContact OD1-N 2.9Å; D734-S737 WeakPolarHBondContact O-CB 3.25Å; D734-S737 PolarHBondContact O-N 2.77Å; D734-S737 VanDerWaalsContact O-N 3.13Å
735	P	88.4	Confident	84.4	Confident	1 Å²	1	67 Å²	67	1%	0.006	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-9.1	179.4	28.6	-34.3	0	0	0	114.2	L650 A654 V658 N687 F733 P776	L650-P735 HydrophobicContact CD1-CG 4.07Å; A654-P735 HydrophobicContact CB-CG 3.9Å; V658-P735 HydrophobicContact CG2-CG 4.46Å; N687-P735 HydrophobicContact CB-CB 4.09Å; F733-P735 HydrophobicContact CE1-CB 3.98Å; F733-P735 HydrophobicContact CZ-CB 4.3Å; P735-P776 WeakPolarHBondContact O-CD 3.46Å
736	F	88.4	Confident	84.5	Confident	93 Å²	93	66.5 Å²	66.5	41%	0.408	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	3.8	174.7	-63.5	-83.5	0	0	0	113.8	L650 A654 D734 E738 P776	L650-F736 HydrophobicContact CD1-CE2 3.82Å; L650-F736 HydrophobicContact CD1-CZ 4.25Å; L650-F736 HydrophobicContact CD2-CZ 4.38Å; L650-F736 HydrophobicContact CG-CE2 3.93Å; L650-F736 HydrophobicContact CG-CZ 3.91Å; L650-F736 WeakPolarHBondContact O-CE2 3.47Å; A654-F736 HydrophobicContact CB-CD2 4.03Å; A654-F736 HydrophobicContact CB-CE2 3.95Å; D734-F736 PolarHBondContact O-N 2.74Å; D734-F736 VanDerWaalsContact O-N 3.15Å; D734-F736 PolarHBondContact OD1-N 2.9Å; F736-E738 PolarHBondContact O-N 2.92Å; F736-P776 HydrophobicContact CD1-CB 4.41Å; F736-P776 HydrophobicContact CD1-CG 3.84Å; F736-P776 HydrophobicContact CE1-CG 3.83Å
737	S	82.3	Confident	84.5	Confident	18 Å²	18	66.6 Å²	66.6	13%	0.126	37%	0.369	C	S	.	.			trans	-56.4	119.4	-179.6	178.1	0	0	0	0	112.9	D734 T739 T777	D734-S737 WeakPolarHBondContact O-CB 3.25Å; D734-S737 PolarHBondContact O-N 2.77Å; D734-S737 VanDerWaalsContact O-N 3.13Å; S737-T739 VanDerWaalsContact C-N 3.25Å; S737-T739 PolarHBondContact OG-N 2.95Å; S737-T739 VanDerWaalsContact OG-N 3.16Å; S737-T739 PolarHBondContact OG-O 3.42Å; S737-T739 PolarHBondContact OG-OG1 3.12Å; S737-T777 PolarHBondContact O-OG1 2.93Å
738	E	80.8	Confident	84.5	Confident	144 Å²	144	66.5 Å²	66.5	67%	0.673	37%	0.372	S	S	*	.	S	Bend	trans	-75.8	-13.9	167.3	-63.6	-168.7	-179.3	0	0	112.9	F736 T777 K807 I809	F736-E738 PolarHBondContact O-N 2.92Å; E738-T777 HydrophobicContact CB-CG2 4.45Å; E738-T777 HydrophobicContact CG-CG2 3.9Å; E738-K807 PolarHBondContact O-NZ 3.12Å; E738-I809 VanDerWaalsContact O-CD1 3.32Å; E738-I809 WeakPolarHBondContact O-CD1 3.47Å
739	T	76.8	Confident	84.7	Confident	95 Å²	95	61.1 Å²	61.1	58%	0.583	35%	0.352	S	S	*	.	S	Bend	trans	-95.1	145.8	178.8	39.2	0	0	0	0	112.2	S737 V741	S737-T739 VanDerWaalsContact C-N 3.25Å; S737-T739 PolarHBondContact OG-N 2.95Å; S737-T739 VanDerWaalsContact OG-N 3.16Å; S737-T739 PolarHBondContact OG-O 3.42Å; S737-T739 PolarHBondContact OG-OG1 3.12Å; T739-V741 PolarHBondContact O-N 2.95Å
740	P	74.4	Confident	85	Confident	57 Å²	57	56.1 Å²	56.1	37%	0.37	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-51.3	134.5	168.1	-26.5	36	0	0	0	111.6	A746	P740-A746 HydrophobicContact CB-CB 4.19Å; P740-A746 HydrophobicContact CG-CB 4.11Å
741	V	76.5	Confident	85.5	Confident	20 Å²	20	51.4 Å²	51.4	12%	0.121	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-69.9	137.4	177.3	-177.2	0	0	0	0	109.1	F733 T739 G743 V744 L810	F733-V741 HydrophobicContact CD2-CG1 4.32Å; F733-V741 HydrophobicContact CD2-CG2 3.78Å; F733-V741 HydrophobicContact CE2-CG2 3.62Å; T739-V741 PolarHBondContact O-N 2.95Å; V741-G743 PolarHBondContact O-N 2.67Å; V741-V744 HydrophobicContact CB-CB 4.07Å; V741-V744 HydrophobicContact CB-CG2 3.81Å; V741-V744 HydrophobicContact CG1-CG2 4.06Å; V741-V744 PolarHBondContact O-N 2.95Å; V741-L810 HydrophobicContact CG2-CD1 4.21Å
742	D	71	Confident	86	Confident	118 Å²	118	49.3 Å²	49.3	63%	0.631	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	129.1	177.5	177.4	59.5	0	0	0	111.4	R731 V744	R731-D742 IonicContact CZ-OD2 2.79Å; R731-D742 IonicContact NH1-OD2 3.48Å; R731-D742 PolarHBondContact NH1-OD2 2.69Å; R731-D742 IonicContact NH2-OD2 3.8Å; R731-D742 PolarHBondContact NH2-OD2 3.09Å; D742-V744 VanDerWaalsContact C-N 3.34Å
743	G	75.7	Confident	86.6	Confident	70 Å²	70	44 Å²	44	72%	0.722	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	-8.6	-173.4	0	0	0	0	0	115.8	V741	V741-G743 PolarHBondContact O-N 2.67Å
744	V	82.3	Confident	87	Confident	25 Å²	25	45.2 Å²	45.2	15%	0.152	26%	0.258	C	S	.	.			trans	-100	130.4	177.8	-177.5	0	0	0	0	111	F725 V741 D742 A746 L810	F725-V744 HydrophobicContact CD1-CG2 3.78Å; F725-V744 HydrophobicContact CE1-CG2 3.7Å; V741-V744 HydrophobicContact CB-CB 4.07Å; V741-V744 HydrophobicContact CB-CG2 3.81Å; V741-V744 HydrophobicContact CG1-CG2 4.06Å; V741-V744 PolarHBondContact O-N 2.95Å; D742-V744 VanDerWaalsContact C-N 3.34Å; V744-A746 PolarHBondContact O-N 3.02Å; V744-L810 HydrophobicContact CG1-CD1 3.91Å; V744-L810 HydrophobicContact CG2-CD1 4.19Å
745	I	84.5	Confident	87.3	Confident	124 Å²	124	42.7 Å²	42.7	64%	0.636	25%	0.245	S	C	*	.			trans	-86.9	96.9	177.5	-56.3	179.9	0	0	0	109.2	T868	I745-T868 HydrophobicContact CG2-CG2 3.68Å
746	A	89.9	Confident	87.7	Confident	7 Å²	7	42.6 Å²	42.6	6%	0.058	25%	0.245	C	C	.	.			trans	-56.5	147.1	171.7	0	0	0	0	0	111.7	P740 V744 V808 Y869	P740-A746 HydrophobicContact CB-CB 4.19Å; P740-A746 HydrophobicContact CG-CB 4.11Å; V744-A746 PolarHBondContact O-N 3.02Å; A746-V808 CarbonylContact C-O 3.53Å; A746-V808 VanDerWaalsContact CA-O 3.22Å; A746-V808 WeakPolarHBondContact CA-O 3.46Å; A746-V808 VanDerWaalsContact CB-O 3.32Å; A746-V808 WeakPolarHBondContact CB-O 3.39Å; A746-Y869 HydrophobicContact CB-CD1 4.05Å; A746-Y869 HydrophobicContact CB-CG 4.41Å; A746-Y869 WeakPolarHBondContact O-CB 3.43Å; A746-Y869 PolarHBondContact O-N 3.43Å
747	A	92.1	Very high	88	Confident	2 Å²	2	38.7 Å²	38.7	2%	0.017	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	160.2	-174.4	0	0	0	0	0	113.1	V808 P811 K867	A747-V808 HydrophobicContact CB-CB 4.46Å; A747-V808 PolarHBondContact N-O 3.16Å; A747-V808 WeakPolarHBondContact O-CB 3.45Å; A747-V808 PolarHBondContact O-N 3.05Å; A747-P811 HydrophobicContact CB-CB 4.38Å; A747-P811 HydrophobicContact CB-CG 3.62Å; A747-K867 CarbonylContact C-O 3.58Å; A747-K867 WeakPolarHBondContact CA-O 3.49Å
748	T	93.1	Very high	88.6	Confident	30 Å²	30	38.9 Å²	38.9	18%	0.184	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	125.5	161.8	-60.1	0	0	0	0	107.7	V804 R806 K867	T748-V804 HydrophobicContact CG2-CG1 4.32Å; T748-R806 WeakPolarHBondContact CB-O 3.31Å; T748-R806 PolarHBondContact OG1-O 3.14Å; T748-K867 PolarHBondContact N-O 3.37Å; T748-K867 PolarHBondContact O-N 3.34Å
749	C	95.8	Very high	89.3	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	141.9	174	-177.9	0	0	0	0	109.6	M772 F805 I865 L866	C749-M772 HydrophobicContact CB-CE 4Å; C749-F805 HydrophobicContact CB-CB 4.18Å; C749-F805 HydrophobicContact CB-CD2 4.33Å; C749-F805 PolarHBondContact N-O 2.95Å; C749-F805 CarbonylContact O-C 3.57Å; C749-F805 WeakPolarHBondContact O-CA 3.32Å; C749-F805 WeakPolarHBondContact O-CB 3.46Å; C749-F805 PolarHBondContact O-N 3.13Å; C749-I865 CarbonylContact C-O 3.6Å; C749-I865 WeakPolarHBondContact CA-O 3.12Å; C749-L866 HydrophobicContact CB-CD2 3.96Å
750	S	96.1	Very high	90	Very high	12 Å²	12	29 Å²	29	8%	0.084	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	130.4	177.2	161.1	0	0	0	0	110.3	P802 F803 I864 I865	S750-P802 VanDerWaalsContact OG-CB 3.31Å; S750-P802 WeakPolarHBondContact OG-CB 3.34Å; S750-F803 CarbonylContact C-O 3.5Å; S750-F803 WeakPolarHBondContact CA-O 3.47Å; S750-I864 CarbonylContact O-C 3.26Å; S750-I864 WeakPolarHBondContact O-CA 3.36Å; S750-I865 PolarHBondContact N-O 3.39Å; S750-I865 PolarHBondContact O-N 2.8Å
751	V	97.7	Very high	90.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	114.6	-176.3	-176.8	0	0	0	0	109.7	V753 V770 F803 F805 L816 C862 Q863	V751-V753 HydrophobicContact CG1-CG2 4.33Å; V751-V770 HydrophobicContact CB-CG1 4.11Å; V751-V770 HydrophobicContact CG1-CG1 4.19Å; V751-V770 HydrophobicContact CG1-CG2 4.44Å; V751-V770 HydrophobicContact CG2-CG1 4.17Å; V751-F803 PolarHBondContact N-O 3.13Å; V751-F803 PolarHBondContact O-N 2.99Å; V751-F805 HydrophobicContact CG2-CE2 4.33Å; V751-L816 HydrophobicContact CG2-CD1 4.12Å; V751-L816 HydrophobicContact CG2-CD2 3.9Å; V751-C862 HydrophobicContact CG1-CB 4.26Å; V751-Q863 WeakPolarHBondContact CA-O 3.45Å
752	Q	97.3	Very high	91.3	Very high	42 Å²	42	35.1 Å²	35.1	20%	0.196	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	119.8	171.8	-168.7	171.6	16.5	0	0	110.1	F754 E800 P802 C862 Q863	Q752-F754 HydrophobicContact CB-CE2 4.19Å; Q752-F754 HydrophobicContact CB-CZ 4.2Å; Q752-F754 HydrophobicContact CG-CE1 4.18Å; Q752-F754 HydrophobicContact CG-CE2 4.16Å; Q752-F754 HydrophobicContact CG-CZ 3.82Å; Q752-E800 WeakPolarHBondContact CG-O 3.47Å; Q752-E800 PolarHBondContact NE2-O 2.92Å; Q752-P802 HydrophobicContact CB-CB 4.04Å; Q752-P802 HydrophobicContact CB-CG 4.04Å; Q752-P802 HydrophobicContact CG-CG 4.15Å; Q752-C862 CarbonylContact O-C 3.58Å; Q752-C862 WeakPolarHBondContact O-CA 3.45Å; Q752-C862 WeakPolarHBondContact O-CB 3.45Å; Q752-Q863 PolarHBondContact N-O 2.86Å; Q752-Q863 PolarHBondContact O-N 3Å
753	V	97.8	Very high	92.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	115.6	179.9	-178.5	0	0	0	0	109.7	V751 V768 V770 T786 Y798 N799 E800 F803 V860	V751-V753 HydrophobicContact CG1-CG2 4.33Å; V753-V768 HydrophobicContact CG1-CB 4.3Å; V753-V768 HydrophobicContact CG1-CG1 4.46Å; V753-V768 HydrophobicContact CG1-CG2 4.07Å; V753-V768 HydrophobicContact CG2-CG1 4.43Å; V753-V770 HydrophobicContact CG2-CG2 4Å; V753-T786 HydrophobicContact CB-CG2 3.86Å; V753-T786 HydrophobicContact CG1-CG2 4Å; V753-T786 HydrophobicContact CG2-CG2 4.35Å; V753-Y798 HydrophobicContact CG1-CD2 3.75Å; V753-Y798 HydrophobicContact CG1-CE2 4.44Å; V753-Y798 HydrophobicContact CG1-CG 4.35Å; V753-N799 PolarHBondContact O-N 3.49Å; V753-E800 PolarHBondContact O-N 3.1Å; V753-F803 HydrophobicContact CG2-CE2 4.1Å; V753-V860 HydrophobicContact CG1-CG1 3.96Å
754	F	96.4	Very high	93	Very high	32 Å²	32	32.5 Å²	32.5	14%	0.14	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-53.9	179.4	-64.7	-79.6	0	0	0	111.4	Q752 A797 Y798 N799 Y842 F861 Q863	Q752-F754 HydrophobicContact CB-CE2 4.19Å; Q752-F754 HydrophobicContact CB-CZ 4.2Å; Q752-F754 HydrophobicContact CG-CE1 4.18Å; Q752-F754 HydrophobicContact CG-CE2 4.16Å; Q752-F754 HydrophobicContact CG-CZ 3.82Å; F754-A797 CarbonylContact O-C 3.56Å; F754-Y798 PolarHBondContact O-N 3.03Å; F754-N799 PolarHBondContact O-N 2.91Å; F754-N799 VanDerWaalsContact O-N 3.07Å; F754-N799 PolarHBondContact O-OD1 3.42Å; F754-Y842 HydrophobicContact CE2-CD1 4.1Å; F754-Y842 AromaticContact CE2-CE1 3.75Å; F754-Y842 HydrophobicContact CE2-CE1 3.75Å; F754-Y842 AromaticContact CZ-CE1 3.94Å; F754-Y842 HydrophobicContact CZ-CE1 3.94Å; F754-F861 HydrophobicContact CB-CD1 4.08Å; F754-F861 HydrophobicContact CD2-CD1 4.35Å; F754-F861 HydrophobicContact CD2-CE1 4.43Å; F754-F861 PolarHBondContact N-O 3.02Å; F754-Q863 HydrophobicContact CE2-CB 3.7Å; F754-Q863 HydrophobicContact CZ-CB 4.36Å
755	S	96.6	Very high	93.7	Very high	6 Å²	6	31.3 Å²	31.3	4%	0.042	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	162.7	-168.6	66.1	0	0	0	0	113.1	D221 Q757 P796 F861	D221-S755 WeakPolarHBondContact OD2-CB 3.29Å; D221-S755 PolarHBondContact OD2-OG 2.85Å; S755-Q757 PolarHBondContact OG-NE2 2.91Å; S755-P796 CarbonylContact C-O 3.53Å; S755-P796 VanDerWaalsContact CA-O 3.24Å; S755-P796 WeakPolarHBondContact CA-O 3.47Å; S755-F861 PolarHBondContact N-O 3.34Å; S755-F861 PolarHBondContact O-N 3.44Å; S755-F861 WeakPolarHBondContact OG-CB 3.29Å
756	G	96.1	Very high	94.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	158.8	164.3	0	0	0	0	0	111.4	N795 P796 T859	G756-N795 WeakPolarHBondContact O-CA 3.37Å; G756-P796 PolarHBondContact N-O 3.25Å; G756-T859 CarbonylContact C-O 3.51Å; G756-T859 WeakPolarHBondContact CA-O 3.36Å
757	Q	95.2	Very high	94.6	Very high	11 Å²	11	25.7 Å²	25.7	5%	0.051	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	135	174.5	-68.4	81.5	70.4	0	0	109.7	S755 L759 L794 P858 T859	S755-Q757 PolarHBondContact OG-NE2 2.91Å; Q757-L759 PolarHBondContact O-N 2.84Å; Q757-L759 VanDerWaalsContact O-N 3.1Å; Q757-L794 CarbonylContact C-O 3.56Å; Q757-L794 WeakPolarHBondContact CA-O 3.42Å; Q757-P858 WeakPolarHBondContact O-CA 3.45Å; Q757-T859 PolarHBondContact N-O 3.06Å; Q757-T859 PolarHBondContact O-N 2.96Å
758	F	94.9	Very high	94.9	Very high	21 Å²	21	25.6 Å²	25.6	9%	0.092	12%	0.124	C	C	.	.	S	Bend	trans	48.7	36.4	173.5	-58.4	-81.6	0	0	0	115.1	L147 T172 F173 T213 S760 G793 L794 L857 P858	L147-F758 HydrophobicContact CD2-CE2 4.02Å; L147-F758 HydrophobicContact CD2-CZ 4.41Å; T172-F758 HydrophobicContact CG2-CD1 4.44Å; T172-F758 HydrophobicContact CG2-CE1 4.26Å; F173-F758 AromaticContact CD1-CE1 3.95Å; F173-F758 HydrophobicContact CD1-CE1 3.95Å; F173-F758 AromaticContact CE1-CE1 3.71Å; F173-F758 HydrophobicContact CE1-CE1 3.71Å; F173-F758 HydrophobicContact CE1-CZ 4.08Å; T213-F758 HydrophobicContact CG2-CZ 4.13Å; F758-S760 VanDerWaalsContact C-N 3.27Å; F758-S760 PolarHBondContact O-N 3.06Å; F758-G793 CarbonylContact C-O 3.49Å; F758-L794 HydrophobicContact CD1-CD1 3.46Å; F758-L794 VanDerWaalsContact CD1-CD1 3.46Å; F758-L794 HydrophobicContact CE1-CD1 3.57Å; F758-L794 HydrophobicContact CG-CD1 4.3Å; F758-L794 HydrophobicContact CZ-CD1 4.47Å; F758-L794 PolarHBondContact N-O 2.99Å; F758-L857 HydrophobicContact CB-CB 3.57Å; F758-L857 HydrophobicContact CB-CD1 4.2Å; F758-L857 HydrophobicContact CB-CG 4.44Å; F758-L857 HydrophobicContact CD1-CD1 4.13Å; F758-L857 HydrophobicContact CD2-CD2 4.5Å; F758-L857 HydrophobicContact CG-CB 4.12Å; F758-L857 HydrophobicContact CG-CD1 4.21Å; F758-P858 WeakPolarHBondContact O-CG 3.4Å
759	L	95.3	Very high	95.1	Very high	7 Å²	7	24.7 Å²	24.7	4%	0.037	12%	0.118	C	C	.	.			trans	-65.5	-29	-177.4	-57.2	177.5	0	0	0	112.7	Q757 T766 G793 P796 Y798 V820 I828 L847 P858	Q757-L759 PolarHBondContact O-N 2.84Å; Q757-L759 VanDerWaalsContact O-N 3.1Å; L759-T766 HydrophobicContact CB-CG2 4.48Å; L759-T766 HydrophobicContact CD1-CG2 4.19Å; L759-G793 PolarHBondContact N-O 2.87Å; L759-P796 HydrophobicContact CD1-CG 3.66Å; L759-Y798 VanDerWaalsContact CD1-OH 3.29Å; L759-Y798 WeakPolarHBondContact CD1-OH 3.47Å; L759-V820 HydrophobicContact CD1-CG1 3.87Å; L759-V820 HydrophobicContact CD2-CG1 4.23Å; L759-V820 HydrophobicContact CD2-CG2 4.45Å; L759-I828 HydrophobicContact CB-CG2 4.36Å; L759-I828 WeakPolarHBondContact O-CG2 3.44Å; L759-L847 HydrophobicContact CD2-CD1 3.96Å; L759-P858 HydrophobicContact CD2-CB 4.33Å
760	S	92.1	Very high	95.2	Very high	24 Å²	24	24.7 Å²	24.7	17%	0.168	12%	0.118	C	C	.	.			trans	-152.4	156	175.3	-167.5	0	0	0	0	112.3	S175 F758 K762 G793	S175-S760 WeakPolarHBondContact CB-O 3.25Å; S175-S760 PolarHBondContact OG-O 3.44Å; F758-S760 VanDerWaalsContact C-N 3.27Å; F758-S760 PolarHBondContact O-N 3.06Å; S760-K762 VanDerWaalsContact C-N 3.33Å; S760-K762 PolarHBondContact OG-N 2.99Å; S760-K762 VanDerWaalsContact OG-N 3.11Å; S760-G793 PolarHBondContact N-O 2.97Å
761	D	87.8	Confident	95.2	Very high	73 Å²	73	24.3 Å²	24.3	39%	0.39	12%	0.115	S	C	.	.	S	Bend	trans	-81.2	-14.5	165.3	70.1	-34.7	0	0	0	112.5	S175	S175-D761 PolarHBondContact N-O 2.82Å
762	K	89.6	Confident	95.2	Very high	134 Å²	134	24.3 Å²	24.3	58%	0.583	12%	0.115	S	C	*	.	S	Bend	trans	-97.2	156.8	-179.2	-65.9	167.6	-168.8	174.6	0	112.8	S175 S760 I764	S175-K762 WeakPolarHBondContact CB-O 3.17Å; S760-K762 VanDerWaalsContact C-N 3.33Å; S760-K762 PolarHBondContact OG-N 2.99Å; S760-K762 VanDerWaalsContact OG-N 3.11Å; K762-I764 HydrophobicContact CB-CG2 4.05Å; K762-I764 PolarHBondContact O-N 3.06Å; K762-I764 VanDerWaalsContact O-N 3.14Å
763	K	90.3	Very high	95.1	Very high	107 Å²	107	22.4 Å²	22.4	47%	0.465	11%	0.106	S	C	.	.			trans	-84.3	79.4	172.7	-62.6	-160.6	175.2	-164.5	0	110.5	A174 K177	A174-K763 WeakPolarHBondContact O-CE 3.42Å; K177-K763 PolarHBondContact O-NZ 2.94Å
764	I	93.3	Very high	94.9	Very high	26 Å²	26	22.4 Å²	22.4	13%	0.133	11%	0.107	C	C	.	.			trans	-112.5	161.6	178	57.5	179.2	0	0	0	110.5	K762 T766 N791 N792 D822 I828	K762-I764 HydrophobicContact CB-CG2 4.05Å; K762-I764 PolarHBondContact O-N 3.06Å; K762-I764 VanDerWaalsContact O-N 3.14Å; I764-T766 HydrophobicContact CD1-CG2 4.45Å; I764-T766 HydrophobicContact CG1-CG2 4.24Å; I764-N791 WeakPolarHBondContact O-CA 3.39Å; I764-N791 PolarHBondContact O-N 3.3Å; I764-N792 PolarHBondContact O-N 3.39Å; I764-D822 HydrophobicContact CD1-CB 3.88Å; I764-I828 HydrophobicContact CD1-CD1 3.83Å
765	G	95.1	Very high	94.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.1	C	C	.	.			trans	-72.8	151.1	159.2	0	0	0	0	0	111.6	V789 D822 D823	G765-V789 VanDerWaalsContact CA-O 3.28Å; G765-V789 WeakPolarHBondContact CA-O 3.23Å; G765-D822 CarbonylContact O-C 3.53Å; G765-D822 WeakPolarHBondContact O-CA 3.23Å; G765-D823 PolarHBondContact N-OD2 3.46Å; G765-D823 PolarHBondContact O-N 3.35Å
766	T	97.1	Very high	94.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	151.6	174.4	63.3	0	0	0	0	111.9	L759 I764 M788 V789 Y798 Y821 I828	L759-T766 HydrophobicContact CB-CG2 4.48Å; L759-T766 HydrophobicContact CD1-CG2 4.19Å; I764-T766 HydrophobicContact CD1-CG2 4.45Å; I764-T766 HydrophobicContact CG1-CG2 4.24Å; T766-M788 CarbonylContact O-C 3.51Å; T766-M788 VanDerWaalsContact O-CA 3.32Å; T766-M788 WeakPolarHBondContact O-CA 3.45Å; T766-V789 PolarHBondContact N-O 2.93Å; T766-V789 PolarHBondContact O-N 2.9Å; T766-Y798 PolarHBondContact OG1-OH 2.91Å; T766-Y821 CarbonylContact C-O 3.6Å; T766-Y821 VanDerWaalsContact CA-O 3.28Å; T766-Y821 WeakPolarHBondContact CA-O 3.21Å; T766-I828 HydrophobicContact CG2-CD1 3.7Å
767	Y	97.3	Very high	94	Very high	12 Å²	12	26.2 Å²	26.2	5%	0.047	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	164.8	168	71.4	-81.2	0	0	0	111	E769 R785 M788 V820 Y821 D822 N825	Y767-E769 HydrophobicContact CD2-CG 4.07Å; Y767-E769 HydrophobicContact CE2-CG 3.54Å; Y767-E769 WeakPolarHBondContact CE2-OE1 3.25Å; Y767-R785 HydrophobicContact CD2-CB 4.35Å; Y767-M788 HydrophobicContact CD1-CE 3.53Å; Y767-M788 HydrophobicContact CE1-CE 3.83Å; Y767-V820 WeakPolarHBondContact O-CA 3.48Å; Y767-Y821 VanDerWaalsContact CE1-CB 3.41Å; Y767-Y821 HydrophobicContact CE1-CG 4.41Å; Y767-Y821 HydrophobicContact CE2-CD2 4.24Å; Y767-Y821 HydrophobicContact CE2-CG 4.48Å; Y767-Y821 VanDerWaalsContact CZ-CB 3.49Å; Y767-Y821 PolarHBondContact N-O 3.12Å; Y767-Y821 PolarHBondContact O-N 2.86Å; Y767-D822 WeakPolarHBondContact CE1-O 3.47Å; Y767-N825 PolarHBondContact OH-OD1 3.17Å
768	V	98.2	Very high	93.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	127.7	-178.6	-170	0	0	0	0	109.5	V753 V770 R785 T786 Y798 I818 A819 V820	V753-V768 HydrophobicContact CG1-CB 4.3Å; V753-V768 HydrophobicContact CG1-CG1 4.46Å; V753-V768 HydrophobicContact CG1-CG2 4.07Å; V753-V768 HydrophobicContact CG2-CG1 4.43Å; V768-V770 HydrophobicContact CG1-CG2 4.34Å; V768-R785 CarbonylContact O-C 3.59Å; V768-R785 WeakPolarHBondContact O-CA 3.45Å; V768-T786 HydrophobicContact CB-CG2 4.12Å; V768-T786 PolarHBondContact N-OG1 3.36Å; V768-T786 PolarHBondContact O-N 3.05Å; V768-Y798 HydrophobicContact CG2-CD2 4.1Å; V768-Y798 HydrophobicContact CG2-CE1 4.28Å; V768-Y798 HydrophobicContact CG2-CE2 3.56Å; V768-I818 HydrophobicContact CG1-CG2 3.78Å; V768-A819 CarbonylContact C-O 3.57Å; V768-A819 WeakPolarHBondContact CA-O 3.5Å; V768-V820 HydrophobicContact CG1-CG2 4.41Å; V768-V820 HydrophobicContact CG2-CG2 4.16Å
769	E	97.5	Very high	93.7	Very high	11 Å²	11	27 Å²	27	5%	0.051	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	143.1	166.9	-57.8	-166.7	150.5	0	0	109.7	Y767 R785 A819 Y821	Y767-E769 HydrophobicContact CD2-CG 4.07Å; Y767-E769 HydrophobicContact CE2-CG 3.54Å; Y767-E769 WeakPolarHBondContact CE2-OE1 3.25Å; E769-R785 HydrophobicContact CG-CB 4.03Å; E769-A819 PolarHBondContact N-O 2.92Å; E769-A819 PolarHBondContact O-N 3.17Å; E769-Y821 HydrophobicContact CB-CD2 4.48Å; E769-Y821 HydrophobicContact CB-CE2 4.19Å; E769-Y821 HydrophobicContact CG-CD2 3.89Å; E769-Y821 HydrophobicContact CG-CE2 3.9Å; E769-Y821 WeakPolarHBondContact OE2-CE2 3.26Å
770	V	97.9	Very high	93.5	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	94.1	176.7	-173.4	0	0	0	0	108.7	V751 V753 V768 F784 F803 F805 L816 R817 I818	V751-V770 HydrophobicContact CB-CG1 4.11Å; V751-V770 HydrophobicContact CG1-CG1 4.19Å; V751-V770 HydrophobicContact CG1-CG2 4.44Å; V751-V770 HydrophobicContact CG2-CG1 4.17Å; V753-V770 HydrophobicContact CG2-CG2 4Å; V768-V770 HydrophobicContact CG1-CG2 4.34Å; V770-F784 PolarHBondContact N-O 2.91Å; V770-F803 HydrophobicContact CB-CD2 3.96Å; V770-F803 HydrophobicContact CB-CE2 4.46Å; V770-F803 HydrophobicContact CG2-CD2 3.78Å; V770-F803 HydrophobicContact CG2-CE2 3.94Å; V770-F805 HydrophobicContact CG1-CE2 4.14Å; V770-F805 HydrophobicContact CG1-CZ 4.05Å; V770-L816 HydrophobicContact CG1-CD1 3.78Å; V770-L816 HydrophobicContact CG1-CG 4.5Å; V770-R817 WeakPolarHBondContact CA-O 3.24Å; V770-I818 HydrophobicContact CG1-CG1 4.28Å; V770-I818 HydrophobicContact CG2-CG1 4.44Å
771	D	96.8	Very high	93.4	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.016	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	158.7	177.2	-62.9	-39.9	0	0	0	111	Y773 I780 R781 K782 R817	D771-Y773 HydrophobicContact CB-CD2 4.08Å; D771-Y773 HydrophobicContact CB-CE2 3.29Å; D771-Y773 PolarHBondContact OD2-OH 3.33Å; D771-I780 WeakPolarHBondContact CA-O 3.27Å; D771-R781 VanDerWaalsContact OD1-CA 3.26Å; D771-R781 WeakPolarHBondContact OD1-CA 3.42Å; D771-K782 PolarHBondContact OD1-N 3.39Å; D771-R817 HydrophobicContact CB-CB 4.29Å; D771-R817 PolarHBondContact N-O 3.18Å; D771-R817 PolarHBondContact O-N 2.96Å; D771-R817 IonicContact OD2-NH1 3.91Å; D771-R817 PolarHBondContact OD2-NH1 3.04Å
772	M	96.6	Very high	93.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	140.5	160.8	-173.6	171.2	-65.1	0	0	110.3	C749 T779 I780 F805 V808 V815 L816 L835	C749-M772 HydrophobicContact CB-CE 4Å; M772-T779 CarbonylContact O-C 3.57Å; M772-T779 WeakPolarHBondContact O-CA 3.13Å; M772-I780 PolarHBondContact N-O 3.36Å; M772-I780 PolarHBondContact O-N 3.47Å; M772-I780 VanDerWaalsContact O-N 3.09Å; M772-F805 HydrophobicContact CB-CD1 3.61Å; M772-F805 HydrophobicContact CB-CE1 3.37Å; M772-F805 HydrophobicContact CB-CZ 4.14Å; M772-F805 HydrophobicContact CE-CB 3.81Å; M772-F805 HydrophobicContact CE-CD1 3.68Å; M772-F805 HydrophobicContact CE-CD2 3.81Å; M772-F805 HydrophobicContact CE-CE1 4.19Å; M772-F805 HydrophobicContact CE-CE2 4.3Å; M772-F805 HydrophobicContact CE-CG 3.48Å; M772-F805 VanDerWaalsContact CE-CG 3.48Å; M772-F805 HydrophobicContact CE-CZ 4.47Å; M772-F805 HydrophobicContact CG-CD1 4.4Å; M772-F805 HydrophobicContact SD-CB 4.3Å; M772-F805 HydrophobicContact SD-CD1 3.99Å; M772-F805 HydrophobicContact SD-CG 4.22Å; M772-V808 HydrophobicContact CE-CG2 4.15Å; M772-V808 HydrophobicContact SD-CG1 4.16Å; M772-V808 HydrophobicContact SD-CG2 3.64Å; M772-V815 WeakPolarHBondContact CA-O 3.32Å; M772-L816 HydrophobicContact CE-CD1 4.21Å; M772-L835 HydrophobicContact CE-CD1 4.09Å; M772-L835 HydrophobicContact CE-CD2 3.83Å; M772-L835 HydrophobicContact SD-CD2 4.11Å
773	Y	96.3	Very high	93.1	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.008	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	128.5	177.9	-62.1	-98.5	0	0	0	108.7	M681 L702 L706 D771 T779 R781 A814 V815 R817	M681-Y773 HydrophobicContact CE-CD1 4.18Å; M681-Y773 HydrophobicContact CE-CE1 3.76Å; M681-Y773 HydrophobicContact SD-CD1 3.92Å; M681-Y773 HydrophobicContact SD-CE1 4.14Å; L702-Y773 HydrophobicContact CD2-CE1 4.34Å; L702-Y773 WeakPolarHBondContact CD2-OH 3.37Å; L706-Y773 HydrophobicContact CD1-CD1 3.63Å; L706-Y773 HydrophobicContact CD1-CD2 4.16Å; L706-Y773 HydrophobicContact CD1-CE1 3.72Å; L706-Y773 HydrophobicContact CD1-CE2 4.24Å; L706-Y773 HydrophobicContact CD1-CG 3.9Å; L706-Y773 HydrophobicContact CD2-CD2 3.78Å; L706-Y773 HydrophobicContact CD2-CE2 4.21Å; L706-Y773 HydrophobicContact CD2-CG 4.05Å; D771-Y773 HydrophobicContact CB-CD2 4.08Å; D771-Y773 HydrophobicContact CB-CE2 3.29Å; D771-Y773 PolarHBondContact OD2-OH 3.33Å; Y773-T779 HydrophobicContact CD1-CG2 4.47Å; Y773-R781 HydrophobicContact CD1-CG 4.42Å; Y773-R781 HydrophobicContact CE1-CG 3.79Å; Y773-R781 PolarHBondContact OH-NE 3.15Å; Y773-R781 VanDerWaalsContact OH-NE 3.13Å; Y773-A814 CarbonylContact O-C 3.55Å; Y773-A814 VanDerWaalsContact O-CA 3.26Å; Y773-A814 WeakPolarHBondContact O-CA 3.14Å; Y773-V815 PolarHBondContact N-O 3.4Å; Y773-V815 PolarHBondContact O-N 3.01Å; Y773-R817 HydrophobicContact CD2-CB 4.35Å; Y773-R817 HydrophobicContact CE2-CB 4.05Å
774	G	93.5	Very high	93.3	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.01	16%	0.161	C	C	.	.	S	Bend	trans	-170.3	-133.6	-177.5	0	0	0	0	0	110.2	Q683 N687 T779	Q683-G774 VanDerWaalsContact CG-O 3.29Å; Q683-G774 WeakPolarHBondContact CG-O 3.46Å; N687-G774 PolarHBondContact ND2-O 3.23Å; N687-G774 PolarHBondContact OD1-O 3.48Å; G774-T779 PolarHBondContact N-OG1 2.88Å; G774-T779 PolarHBondContact O-OG1 2.86Å
775	L	91.6	Very high	93.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-59.2	159.8	164.3	-61.5	-169.1	0	0	0	111.1	N687 F733 T777 D778 T779 I809 L810 L813	N687-L775 HydrophobicContact CB-CD2 4.09Å; F733-L775 HydrophobicContact CE2-CD1 4.32Å; F733-L775 HydrophobicContact CZ-CD1 4.04Å; F733-L775 HydrophobicContact CZ-CD2 3.87Å; L775-T777 PolarHBondContact O-N 3.03Å; L775-T777 VanDerWaalsContact O-N 3.15Å; L775-D778 HydrophobicContact CB-CB 4.4Å; L775-D778 PolarHBondContact O-N 3.1Å; L775-T779 WeakPolarHBondContact O-CB 3.16Å; L775-T779 PolarHBondContact O-N 3.36Å; L775-T779 PolarHBondContact O-OG1 2.97Å; L775-I809 HydrophobicContact CD1-CB 4.32Å; L775-I809 HydrophobicContact CD1-CG2 3.96Å; L775-L810 HydrophobicContact CD1-CB 3.71Å; L775-L810 HydrophobicContact CD1-CD2 3.93Å; L775-L810 HydrophobicContact CD1-CG 4.39Å; L775-L810 HydrophobicContact CD2-CD2 3.78Å; L775-L810 HydrophobicContact CG-CB 3.83Å; L775-L810 HydrophobicContact CG-CD2 3.87Å; L775-L813 HydrophobicContact CD2-CD2 4.03Å
776	P	90.3	Very high	93.5	Very high	64 Å²	64	39.2 Å²	39.2	42%	0.416	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-31	176.5	-23.6	35.7	0	0	0	112.5	P735 F736	P735-P776 WeakPolarHBondContact O-CD 3.46Å; F736-P776 HydrophobicContact CD1-CB 4.41Å; F736-P776 HydrophobicContact CD1-CG 3.84Å; F736-P776 HydrophobicContact CE1-CG 3.83Å
777	T	87.4	Confident	93.4	Very high	53 Å²	53	47.7 Å²	47.7	33%	0.325	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-22.1	176.8	43.5	0	0	0	0	114.1	S737 E738 L775	S737-T777 PolarHBondContact O-OG1 2.93Å; E738-T777 HydrophobicContact CB-CG2 4.45Å; E738-T777 HydrophobicContact CG-CG2 3.9Å; L775-T777 PolarHBondContact O-N 3.03Å; L775-T777 VanDerWaalsContact O-N 3.15Å
778	D	90.8	Very high	93.3	Very high	5 Å²	5	50.9 Å²	50.9	3%	0.027	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-13.7	177.6	-64.3	-18.9	0	0	0	112.6	L775 I780 V808 I809 L810	L775-D778 HydrophobicContact CB-CB 4.4Å; L775-D778 PolarHBondContact O-N 3.1Å; D778-I780 PolarHBondContact O-N 2.81Å; D778-V808 HydrophobicContact CB-CG1 4.32Å; D778-V808 WeakPolarHBondContact OD1-CA 3.45Å; D778-I809 WeakPolarHBondContact OD1-CB 3.5Å; D778-I809 WeakPolarHBondContact OD1-CG1 3.33Å; D778-I809 PolarHBondContact OD1-N 3.41Å; D778-I809 PolarHBondContact OD2-N 3.32Å; D778-L810 PolarHBondContact OD2-N 3.01Å
779	T	92.9	Very high	93.2	Very high	45 Å²	45	52.5 Å²	52.5	28%	0.276	24%	0.241	S	C	.	.			trans	-87.7	105.8	-169.2	-63.5	0	0	0	0	111.4	M772 Y773 G774 L775 R781	M772-T779 CarbonylContact O-C 3.57Å; M772-T779 WeakPolarHBondContact O-CA 3.13Å; Y773-T779 HydrophobicContact CD1-CG2 4.47Å; G774-T779 PolarHBondContact N-OG1 2.88Å; G774-T779 PolarHBondContact O-OG1 2.86Å; L775-T779 WeakPolarHBondContact O-CB 3.16Å; L775-T779 PolarHBondContact O-N 3.36Å; L775-T779 PolarHBondContact O-OG1 2.97Å; T779-R781 HydrophobicContact CG2-CG 3.86Å
780	I	92.1	Very high	92.9	Very high	45 Å²	45	56.7 Å²	56.7	23%	0.231	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-116	124.9	174.7	-61.1	179.2	0	0	0	108.4	D771 M772 D778 E783 F784 F805	D771-I780 WeakPolarHBondContact CA-O 3.27Å; M772-I780 PolarHBondContact N-O 3.36Å; M772-I780 PolarHBondContact O-N 3.47Å; M772-I780 VanDerWaalsContact O-N 3.09Å; D778-I780 PolarHBondContact O-N 2.81Å; I780-E783 HydrophobicContact CG2-CB 3.96Å; I780-F784 HydrophobicContact CD1-CE2 4.11Å; I780-F784 HydrophobicContact CD1-CZ 4.46Å; I780-F784 HydrophobicContact CG2-CD2 3.97Å; I780-F784 HydrophobicContact CG2-CE2 3.83Å; I780-F784 HydrophobicContact CG2-CZ 4.44Å; I780-F805 HydrophobicContact CB-CD1 4.25Å; I780-F805 HydrophobicContact CB-CE1 4.05Å; I780-F805 HydrophobicContact CD1-CD1 4.02Å; I780-F805 HydrophobicContact CG1-CD1 4.47Å; I780-F805 HydrophobicContact CG2-CE1 4.47Å
781	R	88.6	Confident	92.6	Very high	114 Å²	114	61.8 Å²	61.8	43%	0.43	29%	0.29	S	S	.	.			trans	-136.8	135.9	-171.2	-63.1	173.8	64.1	-158.6	2	112	D771 Y773 T779 E783	D771-R781 VanDerWaalsContact OD1-CA 3.26Å; D771-R781 WeakPolarHBondContact OD1-CA 3.42Å; Y773-R781 HydrophobicContact CD1-CG 4.42Å; Y773-R781 HydrophobicContact CE1-CG 3.79Å; Y773-R781 PolarHBondContact OH-NE 3.15Å; Y773-R781 VanDerWaalsContact OH-NE 3.13Å; T779-R781 HydrophobicContact CG2-CG 3.86Å; R781-E783 PolarHBondContact O-N 2.92Å
782	K	83.6	Confident	92.2	Very high	146 Å²	146	63.2 Å²	63.2	64%	0.635	30%	0.297	S	S	*	.	S	Bend	trans	57.4	4.1	178.5	-60.1	-173.2	172.4	-172	0	116.8	D771	D771-K782 PolarHBondContact OD1-N 3.39Å
783	E	88.3	Confident	91.9	Very high	136 Å²	136	63.2 Å²	63.2	64%	0.636	30%	0.297	S	S	*	.	S	Bend	trans	-80.2	-50.2	174.3	-175.2	177.4	167.6	0	0	110.9	I780 R781 R785	I780-E783 HydrophobicContact CG2-CB 3.96Å; R781-E783 PolarHBondContact O-N 2.92Å; E783-R785 PolarHBondContact O-N 3.5Å
784	F	94.6	Very high	91.8	Very high	31 Å²	31	63.1 Å²	63.1	14%	0.136	30%	0.297	C	S	.	.			trans	-88.6	105.8	-178.5	-61.7	-38.3	0	0	0	111.6	V770 I780 F803 F805	V770-F784 PolarHBondContact N-O 2.91Å; I780-F784 HydrophobicContact CD1-CE2 4.11Å; I780-F784 HydrophobicContact CD1-CZ 4.46Å; I780-F784 HydrophobicContact CG2-CD2 3.97Å; I780-F784 HydrophobicContact CG2-CE2 3.83Å; I780-F784 HydrophobicContact CG2-CZ 4.44Å; F784-F803 HydrophobicContact CB-CB 3.87Å; F784-F803 HydrophobicContact CB-CD1 3.73Å; F784-F803 HydrophobicContact CB-CD2 4.07Å; F784-F803 HydrophobicContact CB-CE1 4.27Å; F784-F803 HydrophobicContact CB-CG 3.62Å; F784-F803 HydrophobicContact CD1-CB 4.01Å; F784-F803 AromaticContact CD1-CD1 3.81Å; F784-F803 HydrophobicContact CD1-CD1 3.81Å; F784-F803 HydrophobicContact CD1-CG 4.19Å; F784-F803 HydrophobicContact CD2-CB 3.89Å; F784-F803 HydrophobicContact CE2-CB 4.42Å; F784-F803 HydrophobicContact CG-CB 3.66Å; F784-F803 AromaticContact CG-CD1 3.95Å; F784-F803 HydrophobicContact CG-CD1 3.95Å; F784-F803 AromaticContact CG-CG 3.9Å; F784-F803 HydrophobicContact CG-CG 3.9Å; F784-F805 HydrophobicContact CD2-CD1 4.37Å; F784-F805 AromaticContact CD2-CE1 3.69Å; F784-F805 HydrophobicContact CD2-CE1 3.69Å; F784-F805 HydrophobicContact CD2-CE2 4.15Å; F784-F805 AromaticContact CD2-CZ 3.56Å; F784-F805 HydrophobicContact CD2-CZ 3.56Å; F784-F805 AromaticContact CE2-CD1 3.92Å; F784-F805 HydrophobicContact CE2-CD1 3.92Å; F784-F805 HydrophobicContact CE2-CD2 4.48Å; F784-F805 AromaticContact CE2-CE1 3.7Å; F784-F805 HydrophobicContact CE2-CE1 3.7Å; F784-F805 HydrophobicContact CE2-CE2 4.29Å; F784-F805 HydrophobicContact CE2-CG 4.3Å; F784-F805 AromaticContact CE2-CZ 3.91Å; F784-F805 HydrophobicContact CE2-CZ 3.91Å
785	R	95.3	Very high	91.8	Very high	146 Å²	146	65.1 Å²	65.1	55%	0.551	31%	0.307	S	S	*	.	B	Isolated β-bridge	trans	-144.4	146.1	174.4	65.1	-177.5	178.8	169.8	-0.7	111.5	Y767 V768 E769 E783 F803	Y767-R785 HydrophobicContact CD2-CB 4.35Å; V768-R785 CarbonylContact O-C 3.59Å; V768-R785 WeakPolarHBondContact O-CA 3.45Å; E769-R785 HydrophobicContact CG-CB 4.03Å; E783-R785 PolarHBondContact O-N 3.5Å; R785-F803 VanDerWaalsContact C-CZ 3.48Å
786	T	96.9	Very high	91.9	Very high	8 Å²	8	65.1 Å²	65.1	5%	0.049	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-75	163.8	175.2	63.8	0	0	0	0	111.8	V753 V768 Y798 E800 F803	V753-T786 HydrophobicContact CB-CG2 3.86Å; V753-T786 HydrophobicContact CG1-CG2 4Å; V753-T786 HydrophobicContact CG2-CG2 4.35Å; V768-T786 HydrophobicContact CB-CG2 4.12Å; V768-T786 PolarHBondContact N-OG1 3.36Å; V768-T786 PolarHBondContact O-N 3.05Å; T786-Y798 HydrophobicContact CG2-CD1 4.45Å; T786-Y798 HydrophobicContact CG2-CG 4.17Å; T786-Y798 WeakPolarHBondContact OG1-CD1 3.39Å; T786-E800 HydrophobicContact CG2-CB 4.15Å; T786-F803 HydrophobicContact CG2-CE2 4.07Å; T786-F803 HydrophobicContact CG2-CZ 3.94Å
787	R	95.1	Very high	92.1	Very high	179 Å²	179	64.8 Å²	64.8	68%	0.675	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-62	143.6	164	-68.8	165.9	-138.6	-145.2	0.3	110.8	V789 E800	R787-V789 PolarHBondContact O-N 3.02Å; R787-E800 WeakPolarHBondContact CG-OE2 3.41Å; R787-E800 IonicContact CZ-OE1 3.74Å; R787-E800 PolarHBondContact N-OE2 2.59Å; R787-E800 IonicContact NE-OE1 3.91Å; R787-E800 PolarHBondContact NE-OE1 3.07Å; R787-E800 IonicContact NE-OE2 3.01Å; R787-E800 PolarHBondContact NE-OE2 3.38Å; R787-E800 IonicContact NH2-OE1 2.76Å; R787-E800 PolarHBondContact NH2-OE1 3.42Å
788	M	95.1	Very high	92.5	Very high	78 Å²	78	63.1 Å²	63.1	38%	0.384	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-74.2	123.8	176.6	-172.1	-178.5	-79	0	0	111.3	T766 Y767 M790 D823	T766-M788 CarbonylContact O-C 3.51Å; T766-M788 VanDerWaalsContact O-CA 3.32Å; T766-M788 WeakPolarHBondContact O-CA 3.45Å; Y767-M788 HydrophobicContact CD1-CE 3.53Å; Y767-M788 HydrophobicContact CE1-CE 3.83Å; M788-M790 HydrophobicContact CG-SD 3.78Å; M788-M790 HydrophobicContact SD-SD 3.53Å; M788-D823 HydrophobicContact CE-CB 4.36Å; M788-D823 HydrophobicContact SD-CB 3.94Å
789	V	95.4	Very high	92.2	Very high	34 Å²	34	67 Å²	67	21%	0.206	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-96.8	106.9	177.1	-179.8	0	0	0	0	108.5	G765 T766 R787 N792 P796 A797 Y798	G765-V789 VanDerWaalsContact CA-O 3.28Å; G765-V789 WeakPolarHBondContact CA-O 3.23Å; T766-V789 PolarHBondContact N-O 2.93Å; T766-V789 PolarHBondContact O-N 2.9Å; R787-V789 PolarHBondContact O-N 3.02Å; V789-N792 HydrophobicContact CG1-CB 4.39Å; V789-P796 HydrophobicContact CB-CB 3.73Å; V789-P796 HydrophobicContact CG1-CB 3.63Å; V789-P796 HydrophobicContact CG2-CB 4.13Å; V789-A797 WeakPolarHBondContact CG2-O 3.29Å; V789-Y798 HydrophobicContact CB-CE1 4.24Å; V789-Y798 HydrophobicContact CG2-CD1 3.57Å; V789-Y798 HydrophobicContact CG2-CE1 3.74Å; V789-Y798 HydrophobicContact CG2-CG 4.48Å
790	M	93.2	Very high	92	Very high	100 Å²	100	66 Å²	66	49%	0.493	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	144.2	-174.2	-61.3	-55	-59.7	0	0	113.3	M788 N792 D823	M788-M790 HydrophobicContact CG-SD 3.78Å; M788-M790 HydrophobicContact SD-SD 3.53Å; M790-N792 PolarHBondContact O-N 3.45Å; M790-D823 HydrophobicContact CE-CB 4.23Å
791	N	89.6	Confident	92	Very high	108 Å²	108	71.3 Å²	71.3	58%	0.578	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	23.2	171.5	-53.6	-73.3	0	0	0	115.7	I764	I764-N791 WeakPolarHBondContact O-CA 3.39Å; I764-N791 PolarHBondContact O-N 3.3Å
792	N	89.3	Confident	92.3	Very high	32 Å²	32	68.3 Å²	68.3	17%	0.171	33%	0.33	C	S	.	.			trans	-137.5	95	174.6	-172.5	1.3	0	0	0	111.1	I764 V789 M790 L794 N795 P796	I764-N792 PolarHBondContact O-N 3.39Å; V789-N792 HydrophobicContact CG1-CB 4.39Å; M790-N792 PolarHBondContact O-N 3.45Å; N792-L794 PolarHBondContact OD1-N 3.01Å; N792-N795 VanDerWaalsContact ND2-C 3.25Å; N792-N795 PolarHBondContact ND2-O 3.34Å; N792-N795 VanDerWaalsContact ND2-O 3.1Å; N792-N795 PolarHBondContact ND2-OD1 3.22Å; N792-N795 VanDerWaalsContact ND2-OD1 3.08Å; N792-N795 PolarHBondContact OD1-N 3.34Å; N792-N795 PolarHBondContact OD1-OD1 3.4Å; N792-P796 WeakPolarHBondContact O-CD 3.13Å
793	G	90.6	Very high	93	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.303	C	S	.	.	S	Bend	trans	-88	-3.5	170	0	0	0	0	0	114.3	F758 L759 S760	F758-G793 CarbonylContact C-O 3.49Å; L759-G793 PolarHBondContact N-O 2.87Å; S760-G793 PolarHBondContact N-O 2.97Å
794	L	93.1	Very high	93.3	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.289	C	S	.	.	S	Bend	trans	-94.3	-49.3	-173.2	-174.9	61.5	0	0	0	112.9	F173 S175 I216 Q757 F758 N792	F173-L794 HydrophobicContact CD1-CD1 4.21Å; F173-L794 HydrophobicContact CD1-CD2 4.47Å; S175-L794 WeakPolarHBondContact OG-CB 3.44Å; S175-L794 PolarHBondContact OG-N 3.18Å; I216-L794 HydrophobicContact CG2-CD2 4.03Å; Q757-L794 CarbonylContact C-O 3.56Å; Q757-L794 WeakPolarHBondContact CA-O 3.42Å; F758-L794 HydrophobicContact CD1-CD1 3.46Å; F758-L794 VanDerWaalsContact CD1-CD1 3.46Å; F758-L794 HydrophobicContact CE1-CD1 3.57Å; F758-L794 HydrophobicContact CG-CD1 4.3Å; F758-L794 HydrophobicContact CZ-CD1 4.47Å; F758-L794 PolarHBondContact N-O 2.99Å; N792-L794 PolarHBondContact OD1-N 3.01Å
795	N	93.4	Very high	93.4	Very high	44 Å²	44	57.1 Å²	57.1	24%	0.235	28%	0.284	C	S	.	.			trans	-150.9	58.6	-178.4	67.9	-22.3	0	0	0	113.3	C217 G756 N792 A797	C217-N795 VanDerWaalsContact SG-CB 3.6Å; G756-N795 WeakPolarHBondContact O-CA 3.37Å; N792-N795 VanDerWaalsContact ND2-C 3.25Å; N792-N795 PolarHBondContact ND2-O 3.34Å; N792-N795 VanDerWaalsContact ND2-O 3.1Å; N792-N795 PolarHBondContact ND2-OD1 3.22Å; N792-N795 VanDerWaalsContact ND2-OD1 3.08Å; N792-N795 PolarHBondContact OD1-N 3.34Å; N792-N795 PolarHBondContact OD1-OD1 3.4Å; N795-A797 PolarHBondContact O-N 3.18Å
796	P	94.7	Very high	93.1	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.293	C	S	.	.			trans	-63.2	129.6	174.6	26.8	-32.5	0	0	0	110.6	S755 G756 L759 V789 N792 Y798	S755-P796 CarbonylContact C-O 3.53Å; S755-P796 VanDerWaalsContact CA-O 3.24Å; S755-P796 WeakPolarHBondContact CA-O 3.47Å; G756-P796 PolarHBondContact N-O 3.25Å; L759-P796 HydrophobicContact CD1-CG 3.66Å; V789-P796 HydrophobicContact CB-CB 3.73Å; V789-P796 HydrophobicContact CG1-CB 3.63Å; V789-P796 HydrophobicContact CG2-CB 4.13Å; N792-P796 WeakPolarHBondContact O-CD 3.13Å; P796-Y798 HydrophobicContact CB-CE1 4.18Å; P796-Y798 HydrophobicContact CB-CE2 4.4Å; P796-Y798 HydrophobicContact CG-CE2 4.18Å; P796-Y798 VanDerWaalsContact CG-OH 3.29Å; P796-Y798 WeakPolarHBondContact CG-OH 3.5Å
797	A	94.7	Very high	92.8	Very high	57 Å²	57	62.9 Å²	62.9	47%	0.471	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-98.1	121.7	166.8	0	0	0	0	0	108.5	F754 V789 N795	F754-A797 CarbonylContact O-C 3.56Å; V789-A797 WeakPolarHBondContact CG2-O 3.29Å; N795-A797 PolarHBondContact O-N 3.18Å
798	Y	94.5	Very high	92.6	Very high	17 Å²	17	54.4 Å²	54.4	7%	0.067	28%	0.275	C	S	.	.			trans	-93.1	-45.5	178.6	-54.9	-73.1	0	0	0	110.9	V753 F754 L759 T766 V768 T786 V789 P796 E800	V753-Y798 HydrophobicContact CG1-CD2 3.75Å; V753-Y798 HydrophobicContact CG1-CE2 4.44Å; V753-Y798 HydrophobicContact CG1-CG 4.35Å; F754-Y798 PolarHBondContact O-N 3.03Å; L759-Y798 VanDerWaalsContact CD1-OH 3.29Å; L759-Y798 WeakPolarHBondContact CD1-OH 3.47Å; T766-Y798 PolarHBondContact OG1-OH 2.91Å; V768-Y798 HydrophobicContact CG2-CD2 4.1Å; V768-Y798 HydrophobicContact CG2-CE1 4.28Å; V768-Y798 HydrophobicContact CG2-CE2 3.56Å; T786-Y798 HydrophobicContact CG2-CD1 4.45Å; T786-Y798 HydrophobicContact CG2-CG 4.17Å; T786-Y798 WeakPolarHBondContact OG1-CD1 3.39Å; V789-Y798 HydrophobicContact CB-CE1 4.24Å; V789-Y798 HydrophobicContact CG2-CD1 3.57Å; V789-Y798 HydrophobicContact CG2-CE1 3.74Å; V789-Y798 HydrophobicContact CG2-CG 4.48Å; P796-Y798 HydrophobicContact CB-CE1 4.18Å; P796-Y798 HydrophobicContact CB-CE2 4.4Å; P796-Y798 HydrophobicContact CG-CE2 4.18Å; P796-Y798 VanDerWaalsContact CG-OH 3.29Å; P796-Y798 WeakPolarHBondContact CG-OH 3.5Å; Y798-E800 PolarHBondContact O-N 2.94Å; Y798-E800 VanDerWaalsContact O-N 3.16Å
799	N	86.2	Confident	92.4	Very high	87 Å²	87	50.8 Å²	50.8	47%	0.465	26%	0.257	S	S	.	.			trans	43.8	43.9	-179.8	-70.9	-8.6	0	0	0	113.7	V753 F754	V753-N799 PolarHBondContact O-N 3.49Å; F754-N799 PolarHBondContact O-N 2.91Å; F754-N799 VanDerWaalsContact O-N 3.07Å; F754-N799 PolarHBondContact O-OD1 3.42Å
800	E	88.4	Confident	92.1	Very high	23 Å²	23	49.1 Å²	49.1	11%	0.107	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-76.7	166.5	-179.8	-151.6	72.5	-117.6	0	0	111	Q752 V753 T786 R787 Y798 F803	Q752-E800 WeakPolarHBondContact CG-O 3.47Å; Q752-E800 PolarHBondContact NE2-O 2.92Å; V753-E800 PolarHBondContact O-N 3.1Å; T786-E800 HydrophobicContact CG2-CB 4.15Å; R787-E800 WeakPolarHBondContact CG-OE2 3.41Å; R787-E800 IonicContact CZ-OE1 3.74Å; R787-E800 PolarHBondContact N-OE2 2.59Å; R787-E800 IonicContact NE-OE1 3.91Å; R787-E800 PolarHBondContact NE-OE1 3.07Å; R787-E800 IonicContact NE-OE2 3.01Å; R787-E800 PolarHBondContact NE-OE2 3.38Å; R787-E800 IonicContact NH2-OE1 2.76Å; R787-E800 PolarHBondContact NH2-OE1 3.42Å; Y798-E800 PolarHBondContact O-N 2.94Å; Y798-E800 VanDerWaalsContact O-N 3.16Å; E800-F803 HydrophobicContact CB-CZ 4.41Å; E800-F803 HydrophobicContact CG-CE1 4.15Å; E800-F803 HydrophobicContact CG-CZ 4.07Å
801	E	92.5	Very high	92	Very high	157 Å²	157	44.6 Å²	44.6	73%	0.734	23%	0.225	S	C	*	.	P	Polyproline II helix	trans	-68	156	169.3	-65.2	-171.6	159.3	0	0	111.1	F803	E801-F803 PolarHBondContact O-N 3.37Å
802	P	95.2	Very high	91.9	Very high	51 Å²	51	43.6 Å²	43.6	33%	0.331	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-63.7	128.9	179.6	-17.2	29.2	0	0	0	112.5	S750 Q752 V804	S750-P802 VanDerWaalsContact OG-CB 3.31Å; S750-P802 WeakPolarHBondContact OG-CB 3.34Å; Q752-P802 HydrophobicContact CB-CB 4.04Å; Q752-P802 HydrophobicContact CB-CG 4.04Å; Q752-P802 HydrophobicContact CG-CG 4.15Å; P802-V804 HydrophobicContact CB-CG2 4.5Å; P802-V804 WeakPolarHBondContact O-CG2 3.47Å; P802-V804 PolarHBondContact O-N 3.25Å
803	F	96.9	Very high	92	Very high	18 Å²	18	42.2 Å²	42.2	8%	0.079	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	116.7	171.6	-56.4	-48.2	0	0	0	109.7	S750 V751 V753 V770 F784 R785 T786 E800 E801	S750-F803 CarbonylContact C-O 3.5Å; S750-F803 WeakPolarHBondContact CA-O 3.47Å; V751-F803 PolarHBondContact N-O 3.13Å; V751-F803 PolarHBondContact O-N 2.99Å; V753-F803 HydrophobicContact CG2-CE2 4.1Å; V770-F803 HydrophobicContact CB-CD2 3.96Å; V770-F803 HydrophobicContact CB-CE2 4.46Å; V770-F803 HydrophobicContact CG2-CD2 3.78Å; V770-F803 HydrophobicContact CG2-CE2 3.94Å; F784-F803 HydrophobicContact CB-CB 3.87Å; F784-F803 HydrophobicContact CB-CD1 3.73Å; F784-F803 HydrophobicContact CB-CD2 4.07Å; F784-F803 HydrophobicContact CB-CE1 4.27Å; F784-F803 HydrophobicContact CB-CG 3.62Å; F784-F803 HydrophobicContact CD1-CB 4.01Å; F784-F803 AromaticContact CD1-CD1 3.81Å; F784-F803 HydrophobicContact CD1-CD1 3.81Å; F784-F803 HydrophobicContact CD1-CG 4.19Å; F784-F803 HydrophobicContact CD2-CB 3.89Å; F784-F803 HydrophobicContact CE2-CB 4.42Å; F784-F803 HydrophobicContact CG-CB 3.66Å; F784-F803 AromaticContact CG-CD1 3.95Å; F784-F803 HydrophobicContact CG-CD1 3.95Å; F784-F803 AromaticContact CG-CG 3.9Å; F784-F803 HydrophobicContact CG-CG 3.9Å; R785-F803 VanDerWaalsContact C-CZ 3.48Å; T786-F803 HydrophobicContact CG2-CE2 4.07Å; T786-F803 HydrophobicContact CG2-CZ 3.94Å; E800-F803 HydrophobicContact CB-CZ 4.41Å; E800-F803 HydrophobicContact CG-CE1 4.15Å; E800-F803 HydrophobicContact CG-CZ 4.07Å; E801-F803 PolarHBondContact O-N 3.37Å
804	V	95.3	Very high	92.2	Very high	57 Å²	57	42.2 Å²	42.2	35%	0.345	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	104.2	-168.1	-169.1	0	0	0	0	112.9	T748 P802 R806	T748-V804 HydrophobicContact CG2-CG1 4.32Å; P802-V804 HydrophobicContact CB-CG2 4.5Å; P802-V804 WeakPolarHBondContact O-CG2 3.47Å; P802-V804 PolarHBondContact O-N 3.25Å; V804-R806 VanDerWaalsContact C-N 3.31Å; V804-R806 HydrophobicContact CB-CG 4.38Å; V804-R806 HydrophobicContact CG1-CG 3.72Å; V804-R806 PolarHBondContact O-N 3.47Å
805	F	95.4	Very high	92.3	Very high	3 Å²	3	42.3 Å²	42.3	1%	0.013	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	81.3	165.3	-50.7	-92.5	0	0	0	108.6	C749 V751 V770 M772 I780 F784 K807 V808 L816	C749-F805 HydrophobicContact CB-CB 4.18Å; C749-F805 HydrophobicContact CB-CD2 4.33Å; C749-F805 PolarHBondContact N-O 2.95Å; C749-F805 CarbonylContact O-C 3.57Å; C749-F805 WeakPolarHBondContact O-CA 3.32Å; C749-F805 WeakPolarHBondContact O-CB 3.46Å; C749-F805 PolarHBondContact O-N 3.13Å; V751-F805 HydrophobicContact CG2-CE2 4.33Å; V770-F805 HydrophobicContact CG1-CE2 4.14Å; V770-F805 HydrophobicContact CG1-CZ 4.05Å; M772-F805 HydrophobicContact CB-CD1 3.61Å; M772-F805 HydrophobicContact CB-CE1 3.37Å; M772-F805 HydrophobicContact CB-CZ 4.14Å; M772-F805 HydrophobicContact CE-CB 3.81Å; M772-F805 HydrophobicContact CE-CD1 3.68Å; M772-F805 HydrophobicContact CE-CD2 3.81Å; M772-F805 HydrophobicContact CE-CE1 4.19Å; M772-F805 HydrophobicContact CE-CE2 4.3Å; M772-F805 HydrophobicContact CE-CG 3.48Å; M772-F805 VanDerWaalsContact CE-CG 3.48Å; M772-F805 HydrophobicContact CE-CZ 4.47Å; M772-F805 HydrophobicContact CG-CD1 4.4Å; M772-F805 HydrophobicContact SD-CB 4.3Å; M772-F805 HydrophobicContact SD-CD1 3.99Å; M772-F805 HydrophobicContact SD-CG 4.22Å; I780-F805 HydrophobicContact CB-CD1 4.25Å; I780-F805 HydrophobicContact CB-CE1 4.05Å; I780-F805 HydrophobicContact CD1-CD1 4.02Å; I780-F805 HydrophobicContact CG1-CD1 4.47Å; I780-F805 HydrophobicContact CG2-CE1 4.47Å; F784-F805 HydrophobicContact CD2-CD1 4.37Å; F784-F805 AromaticContact CD2-CE1 3.69Å; F784-F805 HydrophobicContact CD2-CE1 3.69Å; F784-F805 HydrophobicContact CD2-CE2 4.15Å; F784-F805 AromaticContact CD2-CZ 3.56Å; F784-F805 HydrophobicContact CD2-CZ 3.56Å; F784-F805 AromaticContact CE2-CD1 3.92Å; F784-F805 HydrophobicContact CE2-CD1 3.92Å; F784-F805 HydrophobicContact CE2-CD2 4.48Å; F784-F805 AromaticContact CE2-CE1 3.7Å; F784-F805 HydrophobicContact CE2-CE1 3.7Å; F784-F805 HydrophobicContact CE2-CE2 4.29Å; F784-F805 HydrophobicContact CE2-CG 4.3Å; F784-F805 AromaticContact CE2-CZ 3.91Å; F784-F805 HydrophobicContact CE2-CZ 3.91Å; F805-K807 VanDerWaalsContact C-N 3.31Å; F805-K807 PolarHBondContact O-N 3.14Å; F805-V808 HydrophobicContact CB-CG2 4.15Å; F805-L816 HydrophobicContact CE2-CD1 3.93Å; F805-L816 HydrophobicContact CZ-CD1 4.07Å
806	R	90.1	Very high	92.5	Very high	197 Å²	197	40.2 Å²	40.2	74%	0.743	20%	0.201	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-58.3	-38.2	-167.6	-67.8	-175.7	-176.2	-169.7	1.9	114.1	T748 V804 Y869	T748-R806 WeakPolarHBondContact CB-O 3.31Å; T748-R806 PolarHBondContact OG1-O 3.14Å; V804-R806 VanDerWaalsContact C-N 3.31Å; V804-R806 HydrophobicContact CB-CG 4.38Å; V804-R806 HydrophobicContact CG1-CG 3.72Å; V804-R806 PolarHBondContact O-N 3.47Å; R806-Y869 WeakPolarHBondContact O-CD2 3.42Å
807	K	89.8	Confident	92.6	Very high	78 Å²	78	40.3 Å²	40.3	34%	0.339	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	100.5	-169.8	-174.4	-164.7	-163.9	-162.8	0	108.3	E738 F805 I809 Y869	E738-K807 PolarHBondContact O-NZ 3.12Å; F805-K807 VanDerWaalsContact C-N 3.31Å; F805-K807 PolarHBondContact O-N 3.14Å; K807-I809 HydrophobicContact CD-CD1 3.94Å; K807-I809 HydrophobicContact CG-CD1 3.97Å; K807-Y869 HydrophobicContact CB-CD2 4.15Å; K807-Y869 HydrophobicContact CB-CE2 3.98Å; K807-Y869 HydrophobicContact CD-CE1 4.49Å; K807-Y869 HydrophobicContact CG-CD1 4.3Å; K807-Y869 HydrophobicContact CG-CD2 4.15Å; K807-Y869 HydrophobicContact CG-CE1 4.03Å; K807-Y869 HydrophobicContact CG-CE2 3.89Å; K807-Y869 HydrophobicContact CG-CG 4.35Å
808	V	92.4	Very high	92.8	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	105.2	171.5	-174	0	0	0	0	106.9	A746 A747 M772 D778 F805 P811 A814 L835	A746-V808 CarbonylContact C-O 3.53Å; A746-V808 VanDerWaalsContact CA-O 3.22Å; A746-V808 WeakPolarHBondContact CA-O 3.46Å; A746-V808 VanDerWaalsContact CB-O 3.32Å; A746-V808 WeakPolarHBondContact CB-O 3.39Å; A747-V808 HydrophobicContact CB-CB 4.46Å; A747-V808 PolarHBondContact N-O 3.16Å; A747-V808 WeakPolarHBondContact O-CB 3.45Å; A747-V808 PolarHBondContact O-N 3.05Å; M772-V808 HydrophobicContact CE-CG2 4.15Å; M772-V808 HydrophobicContact SD-CG1 4.16Å; M772-V808 HydrophobicContact SD-CG2 3.64Å; D778-V808 HydrophobicContact CB-CG1 4.32Å; D778-V808 WeakPolarHBondContact OD1-CA 3.45Å; F805-V808 HydrophobicContact CB-CG2 4.15Å; V808-P811 HydrophobicContact CG1-CG 4.22Å; V808-A814 HydrophobicContact CG1-CB 4.22Å; V808-L835 HydrophobicContact CG1-CD2 3.98Å; V808-L835 HydrophobicContact CG2-CD2 4.37Å
809	I	89.6	Confident	92.9	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	18%	0.177	C	C	.	.	S	Bend	trans	-61.1	-43.4	-179.6	-57.8	-59.5	0	0	0	110.8	E738 L775 D778 K807	E738-I809 VanDerWaalsContact O-CD1 3.32Å; E738-I809 WeakPolarHBondContact O-CD1 3.47Å; L775-I809 HydrophobicContact CD1-CB 4.32Å; L775-I809 HydrophobicContact CD1-CG2 3.96Å; D778-I809 WeakPolarHBondContact OD1-CB 3.5Å; D778-I809 WeakPolarHBondContact OD1-CG1 3.33Å; D778-I809 PolarHBondContact OD1-N 3.41Å; D778-I809 PolarHBondContact OD2-N 3.32Å; K807-I809 HydrophobicContact CD-CD1 3.94Å; K807-I809 HydrophobicContact CG-CD1 3.97Å
810	L	89.2	Confident	93.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.154	C	C	.	.			trans	-133.4	73.4	-169.3	-156.6	69.9	0	0	0	113.3	F725 F733 V741 V744 L775 D778 D812 L813 A814	F725-L810 HydrophobicContact CE1-CD1 3.72Å; F725-L810 HydrophobicContact CE2-CD1 3.78Å; F725-L810 HydrophobicContact CE2-CD2 3.77Å; F725-L810 HydrophobicContact CE2-CG 4.32Å; F725-L810 HydrophobicContact CZ-CD1 3.15Å; F725-L810 HydrophobicContact CZ-CD2 3.66Å; F725-L810 HydrophobicContact CZ-CG 3.76Å; F733-L810 HydrophobicContact CE2-CD2 4.39Å; F733-L810 HydrophobicContact CZ-CD2 3.98Å; V741-L810 HydrophobicContact CG2-CD1 4.21Å; V744-L810 HydrophobicContact CG1-CD1 3.91Å; V744-L810 HydrophobicContact CG2-CD1 4.19Å; L775-L810 HydrophobicContact CD1-CB 3.71Å; L775-L810 HydrophobicContact CD1-CD2 3.93Å; L775-L810 HydrophobicContact CD1-CG 4.39Å; L775-L810 HydrophobicContact CD2-CD2 3.78Å; L775-L810 HydrophobicContact CG-CB 3.83Å; L775-L810 HydrophobicContact CG-CD2 3.87Å; D778-L810 PolarHBondContact OD2-N 3.01Å; L810-D812 VanDerWaalsContact C-N 3.3Å; L810-D812 PolarHBondContact O-N 2.88Å; L810-L813 HydrophobicContact CD2-CB 3.72Å; L810-L813 HydrophobicContact CD2-CD2 3.74Å; L810-L813 HydrophobicContact CD2-CG 4.39Å; L810-L813 HydrophobicContact CG-CB 4.14Å; L810-L813 PolarHBondContact O-N 3.36Å; L810-A814 PolarHBondContact O-N 3.44Å
811	P	90.6	Very high	93.9	Very high	4 Å²	4	33.3 Å²	33.3	3%	0.026	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-39.1	-174.7	-26.3	36.3	0	0	0	114.2	A747 V808 L813 A814 L835	A747-P811 HydrophobicContact CB-CB 4.38Å; A747-P811 HydrophobicContact CB-CG 3.62Å; V808-P811 HydrophobicContact CG1-CG 4.22Å; P811-L813 PolarHBondContact O-N 2.96Å; P811-A814 PolarHBondContact O-N 3.37Å; P811-A814 VanDerWaalsContact O-N 3.13Å; P811-L835 HydrophobicContact CB-CB 4.36Å; P811-L835 VanDerWaalsContact O-CB 3.29Å; P811-L835 WeakPolarHBondContact O-CB 2.93Å
812	D	88.2	Confident	94.1	Very high	88 Å²	88	26.7 Å²	26.7	47%	0.471	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-31	-176.5	-49.5	-3.7	0	0	0	113.1	P723 L810	P723-D812 HydrophobicContact CB-CB 4.49Å; P723-D812 HydrophobicContact CG-CB 4.11Å; L810-D812 VanDerWaalsContact C-N 3.3Å; L810-D812 PolarHBondContact O-N 2.88Å
813	L	91.1	Very high	94	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.01	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-22.6	-179.3	-167.8	60.8	0	0	0	112.3	F323 N687 K710 M726 L775 L810 P811	F323-L813 HydrophobicContact CE2-CD1 3.68Å; F323-L813 HydrophobicContact CZ-CD1 3.72Å; N687-L813 VanDerWaalsContact OD1-CD2 3.25Å; N687-L813 WeakPolarHBondContact OD1-CD2 3.46Å; K710-L813 PolarHBondContact NZ-O 3.35Å; M726-L813 HydrophobicContact SD-CD2 4.31Å; L775-L813 HydrophobicContact CD2-CD2 4.03Å; L810-L813 HydrophobicContact CD2-CB 3.72Å; L810-L813 HydrophobicContact CD2-CD2 3.74Å; L810-L813 HydrophobicContact CD2-CG 4.39Å; L810-L813 HydrophobicContact CG-CB 4.14Å; L810-L813 PolarHBondContact O-N 3.36Å; P811-L813 PolarHBondContact O-N 2.96Å
814	A	94.3	Very high	93.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.149	C	C	.	.			trans	-79	147.3	-172.1	0	0	0	0	0	113.7	Y773 V808 L810 P811 L835	Y773-A814 CarbonylContact O-C 3.55Å; Y773-A814 VanDerWaalsContact O-CA 3.26Å; Y773-A814 WeakPolarHBondContact O-CA 3.14Å; V808-A814 HydrophobicContact CG1-CB 4.22Å; L810-A814 PolarHBondContact O-N 3.44Å; P811-A814 PolarHBondContact O-N 3.37Å; P811-A814 VanDerWaalsContact O-N 3.13Å; A814-L835 HydrophobicContact CB-CB 4.49Å; A814-L835 HydrophobicContact CB-CD1 4.42Å; A814-L835 HydrophobicContact CB-CD2 4.18Å; A814-L835 PolarHBondContact O-N 2.83Å
815	V	96.1	Very high	93.8	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.012	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	136.2	174.8	-54.2	0	0	0	0	110.7	L706 K710 M772 Y773 I832 P834	L706-V815 HydrophobicContact CD2-CG2 3.82Å; K710-V815 HydrophobicContact CG-CG1 4.47Å; M772-V815 WeakPolarHBondContact CA-O 3.32Å; Y773-V815 PolarHBondContact N-O 3.4Å; Y773-V815 PolarHBondContact O-N 3.01Å; V815-I832 HydrophobicContact CB-CG2 4.14Å; V815-I832 HydrophobicContact CG2-CG2 4.32Å; V815-P834 HydrophobicContact CG1-CB 4.4Å; V815-P834 HydrophobicContact CG1-CG 4.47Å
816	L	97.3	Very high	93.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	133.9	170.8	-174.4	73.4	0	0	0	108.7	V751 V770 M772 F805 I818 I832 L833 L835 L838	V751-L816 HydrophobicContact CG2-CD1 4.12Å; V751-L816 HydrophobicContact CG2-CD2 3.9Å; V770-L816 HydrophobicContact CG1-CD1 3.78Å; V770-L816 HydrophobicContact CG1-CG 4.5Å; M772-L816 HydrophobicContact CE-CD1 4.21Å; F805-L816 HydrophobicContact CE2-CD1 3.93Å; F805-L816 HydrophobicContact CZ-CD1 4.07Å; L816-I818 HydrophobicContact CD2-CD1 4.26Å; L816-I818 HydrophobicContact CD2-CG1 4.38Å; L816-I818 HydrophobicContact CG-CG1 4.46Å; L816-I832 WeakPolarHBondContact O-CA 3.49Å; L816-L833 PolarHBondContact N-O 3.01Å; L816-L833 PolarHBondContact O-N 3.47Å; L816-L835 HydrophobicContact CB-CD1 3.9Å; L816-L838 HydrophobicContact CD2-CD2 4.4Å
817	R	97.5	Very high	94	Very high	3 Å²	3	31.7 Å²	31.7	1%	0.011	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	116.1	174	175.6	-176.4	-179.9	-93.3	-2.1	109.5	L702 V770 D771 Y773 Y821 R831 I832	L702-R817 VanDerWaalsContact CD1-NE 3.31Å; V770-R817 WeakPolarHBondContact CA-O 3.24Å; D771-R817 HydrophobicContact CB-CB 4.29Å; D771-R817 PolarHBondContact N-O 3.18Å; D771-R817 PolarHBondContact O-N 2.96Å; D771-R817 IonicContact OD2-NH1 3.91Å; D771-R817 PolarHBondContact OD2-NH1 3.04Å; Y773-R817 HydrophobicContact CD2-CB 4.35Å; Y773-R817 HydrophobicContact CE2-CB 4.05Å; R817-Y821 PolarHBondContact NH1-OH 3.42Å; R817-Y821 PolarHBondContact NH2-OH 3.22Å; R817-R831 WeakPolarHBondContact CA-O 3.33Å; R817-I832 HydrophobicContact CB-CG1 4.19Å; R817-I832 HydrophobicContact CG-CG1 4.13Å
818	I	98.1	Very high	94.3	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	120.8	171.8	-61.1	172.3	0	0	0	106.9	V768 V770 L816 Q830 R831 L833 I845	V768-I818 HydrophobicContact CG1-CG2 3.78Å; V770-I818 HydrophobicContact CG1-CG1 4.28Å; V770-I818 HydrophobicContact CG2-CG1 4.44Å; L816-I818 HydrophobicContact CD2-CD1 4.26Å; L816-I818 HydrophobicContact CD2-CG1 4.38Å; L816-I818 HydrophobicContact CG-CG1 4.46Å; I818-Q830 CarbonylContact O-C 3.53Å; I818-Q830 WeakPolarHBondContact O-CA 3.31Å; I818-R831 PolarHBondContact N-O 2.73Å; I818-R831 PolarHBondContact O-N 2.96Å; I818-L833 HydrophobicContact CD1-CD1 4.42Å; I818-I845 HydrophobicContact CD1-CG1 3.99Å; I818-I845 HydrophobicContact CD1-CG2 4.39Å
819	A	98	Very high	94.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	138.4	-175.6	0	0	0	0	0	111.4	V768 E769 Y821 L827 Q830	V768-A819 CarbonylContact C-O 3.57Å; V768-A819 WeakPolarHBondContact CA-O 3.5Å; E769-A819 PolarHBondContact N-O 2.92Å; E769-A819 PolarHBondContact O-N 3.17Å; A819-Y821 HydrophobicContact CB-CD2 4.38Å; A819-Y821 HydrophobicContact CB-CE2 3.61Å; A819-L827 HydrophobicContact CB-CD1 3.95Å; A819-Q830 HydrophobicContact CB-CB 4.13Å
820	V	98.1	Very high	94.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	130.8	-177.9	-175.5	0	0	0	0	109.4	L759 Y767 V768 L827 I828 G829 L847 V860	L759-V820 HydrophobicContact CD1-CG1 3.87Å; L759-V820 HydrophobicContact CD2-CG1 4.23Å; L759-V820 HydrophobicContact CD2-CG2 4.45Å; Y767-V820 WeakPolarHBondContact O-CA 3.48Å; V768-V820 HydrophobicContact CG1-CG2 4.41Å; V768-V820 HydrophobicContact CG2-CG2 4.16Å; V820-L827 WeakPolarHBondContact O-CD1 3.4Å; V820-I828 HydrophobicContact CB-CB 4.36Å; V820-I828 HydrophobicContact CG1-CB 4.21Å; V820-I828 HydrophobicContact CG1-CD1 4.18Å; V820-I828 WeakPolarHBondContact O-CB 3.3Å; V820-I828 PolarHBondContact O-N 2.87Å; V820-G829 PolarHBondContact N-O 3.22Å; V820-G829 PolarHBondContact O-N 2.93Å; V820-L847 HydrophobicContact CB-CD1 4.08Å; V820-L847 HydrophobicContact CG2-CD1 3.55Å; V820-L847 HydrophobicContact CG2-CD2 4.28Å; V820-V860 HydrophobicContact CG2-CG2 3.6Å
821	Y	97.1	Very high	95.3	Very high	35 Å²	35	30.4 Å²	30.4	14%	0.137	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	152.3	-176.2	-68.1	-87.9	0	0	0	111.3	T766 Y767 E769 R817 A819 N825 K826 L827	T766-Y821 CarbonylContact C-O 3.6Å; T766-Y821 VanDerWaalsContact CA-O 3.28Å; T766-Y821 WeakPolarHBondContact CA-O 3.21Å; Y767-Y821 VanDerWaalsContact CE1-CB 3.41Å; Y767-Y821 HydrophobicContact CE1-CG 4.41Å; Y767-Y821 HydrophobicContact CE2-CD2 4.24Å; Y767-Y821 HydrophobicContact CE2-CG 4.48Å; Y767-Y821 VanDerWaalsContact CZ-CB 3.49Å; Y767-Y821 PolarHBondContact N-O 3.12Å; Y767-Y821 PolarHBondContact O-N 2.86Å; E769-Y821 HydrophobicContact CB-CD2 4.48Å; E769-Y821 HydrophobicContact CB-CE2 4.19Å; E769-Y821 HydrophobicContact CG-CD2 3.89Å; E769-Y821 HydrophobicContact CG-CE2 3.9Å; E769-Y821 WeakPolarHBondContact OE2-CE2 3.26Å; R817-Y821 PolarHBondContact NH1-OH 3.42Å; R817-Y821 PolarHBondContact NH2-OH 3.22Å; A819-Y821 HydrophobicContact CB-CD2 4.38Å; A819-Y821 HydrophobicContact CB-CE2 3.61Å; Y821-N825 WeakPolarHBondContact CD1-O 3.43Å; Y821-K826 VanDerWaalsContact CA-O 3.3Å; Y821-K826 WeakPolarHBondContact CA-O 3.16Å; Y821-L827 HydrophobicContact CD1-CB 4.26Å; Y821-L827 HydrophobicContact CD1-CD1 4.06Å; Y821-L827 HydrophobicContact CD2-CD1 4.38Å; Y821-L827 HydrophobicContact CE1-CB 3.99Å; Y821-L827 HydrophobicContact CE1-CD1 3.58Å; Y821-L827 HydrophobicContact CE1-CG 4.4Å; Y821-L827 HydrophobicContact CE2-CD1 3.94Å; Y821-L827 HydrophobicContact CG-CD1 4.44Å
822	D	95.6	Very high	95.7	Very high	18 Å²	18	30.3 Å²	30.3	10%	0.096	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-177.3	174.6	79.9	-8.4	0	0	0	113.4	I764 G765 Y767 N824 N825 K826 I828	I764-D822 HydrophobicContact CD1-CB 3.88Å; G765-D822 CarbonylContact O-C 3.53Å; G765-D822 WeakPolarHBondContact O-CA 3.23Å; Y767-D822 WeakPolarHBondContact CE1-O 3.47Å; D822-N824 PolarHBondContact O-N 3.36Å; D822-N824 VanDerWaalsContact OD1-C 3.3Å; D822-N824 VanDerWaalsContact OD1-CA 3.26Å; D822-N824 WeakPolarHBondContact OD1-CA 3.49Å; D822-N824 WeakPolarHBondContact OD1-CB 3.49Å; D822-N824 PolarHBondContact OD1-N 3.39Å; D822-N824 PolarHBondContact OD2-ND2 3.37Å; D822-N825 PolarHBondContact O-N 3.44Å; D822-N825 VanDerWaalsContact O-N 3.11Å; D822-N825 PolarHBondContact OD1-N 3.06Å; D822-K826 PolarHBondContact N-O 2.96Å; D822-K826 WeakPolarHBondContact OD1-CB 3.49Å; D822-K826 PolarHBondContact OD1-N 3.49Å; D822-I828 HydrophobicContact CB-CD1 4.07Å; D822-I828 HydrophobicContact CB-CG1 4.28Å
823	D	93.7	Very high	96.1	Very high	54 Å²	54	26.1 Å²	26.1	29%	0.289	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-9.5	175.5	46.8	23.9	0	0	0	115	G765 M788 M790	G765-D823 PolarHBondContact N-OD2 3.46Å; G765-D823 PolarHBondContact O-N 3.35Å; M788-D823 HydrophobicContact CE-CB 4.36Å; M788-D823 HydrophobicContact SD-CB 3.94Å; M790-D823 HydrophobicContact CE-CB 4.23Å
824	N	94.1	Very high	96.2	Very high	115 Å²	115	26.9 Å²	26.9	62%	0.615	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-0.3	174.7	-46.7	-77.2	0	0	0	112	D822 K826	D822-N824 PolarHBondContact O-N 3.36Å; D822-N824 VanDerWaalsContact OD1-C 3.3Å; D822-N824 VanDerWaalsContact OD1-CA 3.26Å; D822-N824 WeakPolarHBondContact OD1-CA 3.49Å; D822-N824 WeakPolarHBondContact OD1-CB 3.49Å; D822-N824 PolarHBondContact OD1-N 3.39Å; D822-N824 PolarHBondContact OD2-ND2 3.37Å; N824-K826 VanDerWaalsContact C-N 3.26Å
825	N	92.9	Very high	96.2	Very high	101 Å²	101	27 Å²	27	54%	0.54	14%	0.135	S	C	.	.			trans	64.9	21.1	-170.2	-35.8	-96.7	0	0	0	114	Y767 Y821 D822	Y767-N825 PolarHBondContact OH-OD1 3.17Å; Y821-N825 WeakPolarHBondContact CD1-O 3.43Å; D822-N825 PolarHBondContact O-N 3.44Å; D822-N825 VanDerWaalsContact O-N 3.11Å; D822-N825 PolarHBondContact OD1-N 3.06Å
826	K	94.9	Very high	95.8	Very high	142 Å²	142	30.1 Å²	30.1	62%	0.617	15%	0.151	S	C	*	.			trans	-75.1	139.1	167.6	179.1	169.5	-179.8	166.9	0	109.6	Y821 D822 N824 I828	Y821-K826 VanDerWaalsContact CA-O 3.3Å; Y821-K826 WeakPolarHBondContact CA-O 3.16Å; D822-K826 PolarHBondContact N-O 2.96Å; D822-K826 WeakPolarHBondContact OD1-CB 3.49Å; D822-K826 PolarHBondContact OD1-N 3.49Å; N824-K826 VanDerWaalsContact C-N 3.26Å; K826-I828 PolarHBondContact O-N 2.89Å
827	L	96	Very high	95.3	Very high	20 Å²	20	30.5 Å²	30.5	11%	0.105	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	129.1	174.1	-168.4	74.4	0	0	0	110.4	A819 V820 Y821 Q830 E850	A819-L827 HydrophobicContact CB-CD1 3.95Å; V820-L827 WeakPolarHBondContact O-CD1 3.4Å; Y821-L827 HydrophobicContact CD1-CB 4.26Å; Y821-L827 HydrophobicContact CD1-CD1 4.06Å; Y821-L827 HydrophobicContact CD2-CD1 4.38Å; Y821-L827 HydrophobicContact CE1-CB 3.99Å; Y821-L827 HydrophobicContact CE1-CD1 3.58Å; Y821-L827 HydrophobicContact CE1-CG 4.4Å; Y821-L827 HydrophobicContact CE2-CD1 3.94Å; Y821-L827 HydrophobicContact CG-CD1 4.44Å; L827-Q830 HydrophobicContact CD1-CB 4.4Å; L827-Q830 HydrophobicContact CD2-CB 4.21Å; L827-Q830 HydrophobicContact CD2-CG 4.06Å; L827-E850 HydrophobicContact CD2-CG 3.64Å
828	I	96.3	Very high	95.1	Very high	37 Å²	37	30.4 Å²	30.4	19%	0.19	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-43.8	169.8	-67.1	178.3	0	0	0	109.7	L759 I764 T766 V820 D822 K826	L759-I828 HydrophobicContact CB-CG2 4.36Å; L759-I828 WeakPolarHBondContact O-CG2 3.44Å; I764-I828 HydrophobicContact CD1-CD1 3.83Å; T766-I828 HydrophobicContact CG2-CD1 3.7Å; V820-I828 HydrophobicContact CB-CB 4.36Å; V820-I828 HydrophobicContact CG1-CB 4.21Å; V820-I828 HydrophobicContact CG1-CD1 4.18Å; V820-I828 WeakPolarHBondContact O-CB 3.3Å; V820-I828 PolarHBondContact O-N 2.87Å; D822-I828 HydrophobicContact CB-CD1 4.07Å; D822-I828 HydrophobicContact CB-CG1 4.28Å; K826-I828 PolarHBondContact O-N 2.89Å
829	G	97.3	Very high	94.9	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.2	160.9	175.3	0	0	0	0	0	111.9	V820 R848	V820-G829 PolarHBondContact N-O 3.22Å; V820-G829 PolarHBondContact O-N 2.93Å; G829-R848 CarbonylContact C-O 3.6Å; G829-R848 WeakPolarHBondContact CA-O 3.25Å
830	Q	97.6	Very high	94.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	157.8	-179.8	61.7	78.2	21.5	0	0	110.9	I818 A819 L827 R848 N849 N852	I818-Q830 CarbonylContact O-C 3.53Å; I818-Q830 WeakPolarHBondContact O-CA 3.31Å; A819-Q830 HydrophobicContact CB-CB 4.13Å; L827-Q830 HydrophobicContact CD1-CB 4.4Å; L827-Q830 HydrophobicContact CD2-CB 4.21Å; L827-Q830 HydrophobicContact CD2-CG 4.06Å; Q830-R848 PolarHBondContact N-O 3.49Å; Q830-R848 WeakPolarHBondContact O-CA 3.3Å; Q830-R848 WeakPolarHBondContact O-CB 3.45Å; Q830-R848 PolarHBondContact O-N 3.19Å; Q830-N849 PolarHBondContact NE2-O 2.95Å; Q830-N849 VanDerWaalsContact NE2-O 3.12Å; Q830-N852 PolarHBondContact NE2-OD1 2.83Å
831	R	97.6	Very high	94.6	Very high	17 Å²	17	31.2 Å²	31.2	6%	0.064	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	133.2	161.9	-172.4	70.1	-162.9	-134.2	11	110	N140 E712 R817 I818 L833 I845 L847	N140-R831 PolarHBondContact OD1-NH1 3.17Å; N140-R831 PolarHBondContact OD1-NH2 3.2Å; E712-R831 IonicContact OE1-CZ 3.73Å; E712-R831 IonicContact OE1-NH2 2.69Å; E712-R831 PolarHBondContact OE1-NH2 3.3Å; E712-R831 IonicContact OE2-CZ 3.57Å; E712-R831 IonicContact OE2-NH2 2.73Å; E712-R831 PolarHBondContact OE2-NH2 3.16Å; R817-R831 WeakPolarHBondContact CA-O 3.33Å; I818-R831 PolarHBondContact N-O 2.73Å; I818-R831 PolarHBondContact O-N 2.96Å; R831-L833 HydrophobicContact CG-CD2 3.71Å; R831-L833 HydrophobicContact CG-CG 4.04Å; R831-I845 HydrophobicContact CB-CG2 3.62Å; R831-I845 HydrophobicContact CG-CG2 3.85Å; R831-L847 HydrophobicContact CB-CD2 4.49Å
832	I	97.3	Very high	94.6	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	133.5	172.4	-69.4	147.5	0	0	0	109.3	Q705 L706 Y713 V815 L816 R817	Q705-I832 HydrophobicContact CB-CD1 4.31Å; Q705-I832 WeakPolarHBondContact O-CD1 3.29Å; L706-I832 HydrophobicContact CD2-CD1 4.14Å; L706-I832 HydrophobicContact CD2-CG1 4.21Å; Y713-I832 PolarHBondContact OH-O 3.18Å; V815-I832 HydrophobicContact CB-CG2 4.14Å; V815-I832 HydrophobicContact CG2-CG2 4.32Å; L816-I832 WeakPolarHBondContact O-CA 3.49Å; R817-I832 HydrophobicContact CB-CG1 4.19Å; R817-I832 HydrophobicContact CG-CG1 4.13Å
833	L	96.3	Very high	94.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	110.3	-175	-54.8	170	0	0	0	107.8	P303 V304 L816 I818 R831 L838 I845	P303-L833 HydrophobicContact CB-CD1 4.46Å; P303-L833 HydrophobicContact CG-CD2 4.35Å; V304-L833 HydrophobicContact CG1-CB 4.45Å; V304-L833 HydrophobicContact CG1-CD2 4.01Å; L816-L833 PolarHBondContact N-O 3.01Å; L816-L833 PolarHBondContact O-N 3.47Å; I818-L833 HydrophobicContact CD1-CD1 4.42Å; R831-L833 HydrophobicContact CG-CD2 3.71Å; R831-L833 HydrophobicContact CG-CG 4.04Å; L833-L838 HydrophobicContact CB-CD1 3.82Å; L833-L838 HydrophobicContact CD1-CD1 4.11Å; L833-I845 HydrophobicContact CD1-CD1 4.15Å; L833-I845 HydrophobicContact CD1-CG2 4.44Å
834	P	94.5	Very high	94.9	Very high	19 Å²	19	26.9 Å²	26.9	12%	0.123	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	150.6	170.3	-23	34.2	0	0	0	111.4	Y713 V815 D836 L838	Y713-P834 HydrophobicContact CD2-CG 3.82Å; Y713-P834 HydrophobicContact CE1-CG 4.4Å; Y713-P834 HydrophobicContact CE2-CG 3.64Å; Y713-P834 HydrophobicContact CG-CG 4.31Å; Y713-P834 WeakPolarHBondContact OH-CD 3.22Å; V815-P834 HydrophobicContact CG1-CB 4.4Å; V815-P834 HydrophobicContact CG1-CG 4.47Å; P834-D836 CarbonylContact C-O 3.59Å; P834-L838 WeakPolarHBondContact O-CB 2.78Å
835	L	92.9	Very high	95	Very high	3 Å²	3	21.4 Å²	21.4	2%	0.016	11%	0.109	C	C	.	.	S	Bend	trans	-78.9	-25.4	175.6	-94.1	68.9	0	0	0	112.3	M772 V808 P811 A814 L816 L838	M772-L835 HydrophobicContact CE-CD1 4.09Å; M772-L835 HydrophobicContact CE-CD2 3.83Å; M772-L835 HydrophobicContact SD-CD2 4.11Å; V808-L835 HydrophobicContact CG1-CD2 3.98Å; V808-L835 HydrophobicContact CG2-CD2 4.37Å; P811-L835 HydrophobicContact CB-CB 4.36Å; P811-L835 VanDerWaalsContact O-CB 3.29Å; P811-L835 WeakPolarHBondContact O-CB 2.93Å; A814-L835 HydrophobicContact CB-CB 4.49Å; A814-L835 HydrophobicContact CB-CD1 4.42Å; A814-L835 HydrophobicContact CB-CD2 4.18Å; A814-L835 PolarHBondContact O-N 2.83Å; L816-L835 HydrophobicContact CB-CD1 3.9Å; L835-L838 HydrophobicContact CD1-CD2 4.5Å; L835-L838 HydrophobicContact CG-CD2 4.37Å
836	D	88.4	Confident	95.2	Very high	67 Å²	67	17.7 Å²	17.7	36%	0.358	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	136.5	156.1	-179.4	29.2	0	0	0	109.7	Y312 P834 L838	Y312-D836 PolarHBondContact OH-OD2 3.05Å; P834-D836 CarbonylContact C-O 3.59Å; D836-L838 PolarHBondContact O-N 2.96Å
837	G	86.9	Confident	95.3	Very high	8 Å²	8	11 Å²	11	8%	0.082	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	-2.5	-178.1	0	0	0	0	0	116.5	V304 F305	V304-G837 CarbonylContact C-O 3.55Å; V304-G837 VanDerWaalsContact CA-O 3.27Å; V304-G837 WeakPolarHBondContact CA-O 3.42Å; F305-G837 WeakPolarHBondContact CD2-O 3.43Å; F305-G837 PolarHBondContact N-O 3.47Å
838	L	93.9	Very high	95.3	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.005	6%	0.058	C	C	.	.	B	Isolated β-bridge	trans	-69.4	133.8	177.8	-164	64.8	0	0	0	111.9	V304 L816 L833 P834 L835 D836 I864 L866	V304-L838 HydrophobicContact CG1-CD1 4.2Å; L816-L838 HydrophobicContact CD2-CD2 4.4Å; L833-L838 HydrophobicContact CB-CD1 3.82Å; L833-L838 HydrophobicContact CD1-CD1 4.11Å; P834-L838 WeakPolarHBondContact O-CB 2.78Å; L835-L838 HydrophobicContact CD1-CD2 4.5Å; L835-L838 HydrophobicContact CG-CD2 4.37Å; D836-L838 PolarHBondContact O-N 2.96Å; L838-I864 HydrophobicContact CD1-CD1 4.2Å; L838-I864 HydrophobicContact CD2-CG2 4.09Å; L838-I864 HydrophobicContact CG-CG2 4.48Å; L838-L866 HydrophobicContact CB-CD1 4.11Å; L838-L866 HydrophobicContact CD2-CD1 4.14Å; L838-L866 HydrophobicContact CD2-CD2 4.08Å; L838-L866 HydrophobicContact CG-CD1 4.06Å; L838-L866 WeakPolarHBondContact O-CD1 3.36Å
839	Q	93.3	Very high	95.2	Very high	12 Å²	12	10.1 Å²	10.1	6%	0.056	6%	0.057	C	C	.	.	P	Polyproline II helix	trans	-101.6	133.6	177.5	-61.6	-171.5	57.2	0	0	112.1	A302 P303 V304 F305 R843	A302-Q839 PolarHBondContact O-NE2 2.89Å; A302-Q839 VanDerWaalsContact O-NE2 3.09Å; P303-Q839 PolarHBondContact O-N 3.18Å; V304-Q839 PolarHBondContact O-NE2 3.4Å; F305-Q839 HydrophobicContact CD1-CG 4.25Å; F305-Q839 HydrophobicContact CD2-CG 4.09Å; F305-Q839 HydrophobicContact CE1-CG 4.1Å; F305-Q839 HydrophobicContact CE2-CG 3.95Å; F305-Q839 HydrophobicContact CG-CG 4.24Å; F305-Q839 HydrophobicContact CZ-CG 3.95Å; Q839-R843 VanDerWaalsContact OE1-NH1 3.08Å
840	A	94.4	Very high	95	Very high	5 Å²	5	13.9 Å²	13.9	4%	0.041	8%	0.075	C	C	.	.	P	Polyproline II helix	trans	-71.8	170	173.8	0	0	0	0	0	113.3	D252 R843 I864 L866	D252-A840 HydrophobicContact CB-CB 3.96Å; A840-R843 PolarHBondContact O-NE 3.32Å; A840-R843 PolarHBondContact O-NH2 2.94Å; A840-I864 CarbonylContact C-O 3.56Å; A840-I864 WeakPolarHBondContact CA-O 3.25Å; A840-L866 HydrophobicContact CB-CB 4.28Å; A840-L866 HydrophobicContact CB-CD1 4.23Å; A840-L866 HydrophobicContact CB-CG 4.25Å
841	G	95.9	Very high	94.7	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.01	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	97.4	-168.5	176.1	0	0	0	0	0	115.1	N249 R843 Q863 I864	N249-G841 WeakPolarHBondContact O-CA 3.4Å; N249-G841 PolarHBondContact O-N 3.43Å; G841-R843 PolarHBondContact O-N 3.06Å; G841-Q863 WeakPolarHBondContact O-CA 3.3Å; G841-I864 PolarHBondContact N-O 3.4Å; G841-I864 PolarHBondContact O-N 2.85Å
842	Y	97.4	Very high	94.5	Very high	7 Å²	7	14.4 Å²	14.4	3%	0.027	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	114.3	177.4	-64.8	-82.1	0	0	0	109.9	L225 K228 F245 N249 Q250 N301 F754 F861 C862 Q863	L225-Y842 HydrophobicContact CD1-CD2 4.06Å; L225-Y842 HydrophobicContact CD1-CE1 4.07Å; L225-Y842 HydrophobicContact CD1-CE2 3.52Å; L225-Y842 HydrophobicContact CD2-CD1 3.78Å; L225-Y842 HydrophobicContact CD2-CD2 3.77Å; L225-Y842 HydrophobicContact CD2-CE1 4.12Å; L225-Y842 HydrophobicContact CD2-CE2 4.09Å; L225-Y842 HydrophobicContact CD2-CG 3.61Å; L225-Y842 HydrophobicContact CG-CE2 4.47Å; K228-Y842 PolarHBondContact NZ-OH 3.06Å; F245-Y842 AromaticContact CE2-CD2 3.68Å; F245-Y842 HydrophobicContact CE2-CD2 3.68Å; F245-Y842 HydrophobicContact CE2-CE2 4.06Å; F245-Y842 HydrophobicContact CZ-CD2 4.03Å; N249-Y842 HydrophobicContact CB-CE2 4.33Å; Q250-Y842 PolarHBondContact NE2-O 2.99Å; N301-Y842 PolarHBondContact ND2-O 2.97Å; F754-Y842 HydrophobicContact CE2-CD1 4.1Å; F754-Y842 AromaticContact CE2-CE1 3.75Å; F754-Y842 HydrophobicContact CE2-CE1 3.75Å; F754-Y842 AromaticContact CZ-CE1 3.94Å; F754-Y842 HydrophobicContact CZ-CE1 3.94Å; Y842-F861 HydrophobicContact CD1-CE1 4.46Å; Y842-F861 AromaticContact CD1-CZ 3.99Å; Y842-F861 HydrophobicContact CD1-CZ 3.99Å; Y842-F861 HydrophobicContact CG-CZ 4.36Å; Y842-C862 WeakPolarHBondContact CA-O 3.32Å; Y842-Q863 HydrophobicContact CD1-CB 3.82Å; Y842-Q863 HydrophobicContact CD1-CG 4.24Å; Y842-Q863 HydrophobicContact CE1-CB 3.75Å; Y842-Q863 HydrophobicContact CE1-CG 4.06Å; Y842-Q863 HydrophobicContact CE2-CG 4.44Å; Y842-Q863 HydrophobicContact CG-CB 4.45Å; Y842-Q863 HydrophobicContact CG-CG 4.48Å; Y842-Q863 VanDerWaalsContact CZ-CD 3.42Å; Y842-Q863 PolarHBondContact OH-OE1 3.2Å
843	R	97.1	Very high	94.2	Very high	1 Å²	1	16 Å²	16	0%	0.004	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	146.2	-173.5	-57.2	-63	169.3	160.5	-8.3	110.7	Q250 N301 A302 P303 Q839 A840 G841 I845 F861 C862 I864	Q250-R843 PolarHBondContact O-NH2 2.91Å; N301-R843 VanDerWaalsContact C-NH1 3.28Å; N301-R843 WeakPolarHBondContact O-CD 3.44Å; N301-R843 PolarHBondContact O-NH1 2.93Å; N301-R843 VanDerWaalsContact O-NH1 3.12Å; A302-R843 PolarHBondContact O-NH1 3.24Å; P303-R843 HydrophobicContact CB-CB 4.2Å; P303-R843 HydrophobicContact CB-CG 4.42Å; Q839-R843 VanDerWaalsContact OE1-NH1 3.08Å; A840-R843 PolarHBondContact O-NE 3.32Å; A840-R843 PolarHBondContact O-NH2 2.94Å; G841-R843 PolarHBondContact O-N 3.06Å; R843-I845 HydrophobicContact CB-CD1 4.08Å; R843-F861 WeakPolarHBondContact O-CD2 3.49Å; R843-C862 PolarHBondContact N-O 3.47Å; R843-C862 PolarHBondContact O-N 3.06Å; R843-I864 HydrophobicContact CG-CD1 4.49Å
844	H	97.3	Very high	94	Very high	7 Å²	7	17.1 Å²	17.1	3%	0.032	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	132.5	165.4	-70.8	98.5	0	0	0	109	P143 R219 L296 T859 V860 F861	P143-H844 HydrophobicContact CG-CB 3.6Å; R219-H844 PolarHBondContact NH1-NE2 2.87Å; R219-H844 PolarHBondContact NH2-NE2 2.82Å; L296-H844 PolarHBondContact O-ND1 2.9Å; H844-T859 HydrophobicContact CB-CG2 3.85Å; H844-V860 CarbonylContact C-O 3.54Å; H844-V860 WeakPolarHBondContact CA-O 3.38Å; H844-F861 AromaticContact CD2-CD2 3.66Å; H844-F861 AromaticContact CE1-CD2 3.63Å; H844-F861 AromaticContact CE1-CE2 3.85Å; H844-F861 AromaticContact CG-CD2 3.95Å; H844-F861 AromaticContact ND1-CD2 3.94Å; H844-F861 AromaticContact NE2-CD2 3.44Å; H844-F861 WeakPolarHBondContact NE2-CD2 3.11Å; H844-F861 AromaticContact NE2-CG 3.92Å
845	I	97.4	Very high	93.9	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	96.6	-177.2	-46.1	-56.6	0	0	0	107.7	P303 I818 R831 L833 R843 L847 T859 V860 C862 I864	P303-I845 HydrophobicContact CB-CD1 3.52Å; P303-I845 HydrophobicContact CG-CD1 3.98Å; I818-I845 HydrophobicContact CD1-CG1 3.99Å; I818-I845 HydrophobicContact CD1-CG2 4.39Å; R831-I845 HydrophobicContact CB-CG2 3.62Å; R831-I845 HydrophobicContact CG-CG2 3.85Å; L833-I845 HydrophobicContact CD1-CD1 4.15Å; L833-I845 HydrophobicContact CD1-CG2 4.44Å; R843-I845 HydrophobicContact CB-CD1 4.08Å; I845-L847 PolarHBondContact O-N 2.84Å; I845-T859 WeakPolarHBondContact O-CA 3.49Å; I845-V860 HydrophobicContact CB-CB 4.41Å; I845-V860 PolarHBondContact N-O 3.39Å; I845-V860 PolarHBondContact O-N 3Å; I845-C862 VanDerWaalsContact CG1-SG 3.58Å; I845-I864 HydrophobicContact CD1-CD1 4.48Å
846	S	96.4	Very high	93.7	Very high	23 Å²	23	19.1 Å²	19.1	16%	0.161	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	124.2	172.1	-49.4	0	0	0	0	109.2
847	L	97.4	Very high	93.9	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.01	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	158.6	-175.8	-58.2	176.2	0	0	0	112.1	L759 V820 R831 I845 L855 P858 V860	L759-L847 HydrophobicContact CD2-CD1 3.96Å; V820-L847 HydrophobicContact CB-CD1 4.08Å; V820-L847 HydrophobicContact CG2-CD1 3.55Å; V820-L847 HydrophobicContact CG2-CD2 4.28Å; R831-L847 HydrophobicContact CB-CD2 4.49Å; I845-L847 PolarHBondContact O-N 2.84Å; L847-L855 HydrophobicContact CB-CD1 4.15Å; L847-L855 WeakPolarHBondContact O-CB 3.44Å; L847-L855 PolarHBondContact O-N 3.22Å; L847-P858 HydrophobicContact CB-CB 4.23Å; L847-P858 WeakPolarHBondContact CB-O 3.37Å; L847-P858 HydrophobicContact CD1-CB 3.92Å; L847-P858 HydrophobicContact CG-CB 4.44Å; L847-P858 WeakPolarHBondContact CG-O 3.45Å; L847-P858 PolarHBondContact N-O 3.01Å; L847-V860 HydrophobicContact CD1-CG2 4.33Å; L847-V860 HydrophobicContact CD2-CG2 4.23Å
848	R	95.8	Very high	94.3	Very high	5 Å²	5	17.7 Å²	17.7	2%	0.019	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	161.2	173.8	-58	-175.4	157.4	-52.1	-15.6	109.7	N139 N140 E712 G829 Q830 N852 N853	N139-R848 PolarHBondContact O-NH2 3.17Å; N140-R848 PolarHBondContact ND2-NH2 3.15Å; N140-R848 PolarHBondContact OD1-NH2 2.84Å; E712-R848 IonicContact OE1-CZ 3.42Å; E712-R848 IonicContact OE1-NE 3.13Å; E712-R848 PolarHBondContact OE1-NE 2.69Å; E712-R848 IonicContact OE1-NH2 3.94Å; E712-R848 PolarHBondContact OE1-NH2 3.28Å; E712-R848 IonicContact OE2-CZ 2.72Å; E712-R848 IonicContact OE2-NE 3.76Å; E712-R848 PolarHBondContact OE2-NE 3.2Å; E712-R848 IonicContact OE2-NH2 3.93Å; G829-R848 CarbonylContact C-O 3.6Å; G829-R848 WeakPolarHBondContact CA-O 3.25Å; Q830-R848 PolarHBondContact N-O 3.49Å; Q830-R848 WeakPolarHBondContact O-CA 3.3Å; Q830-R848 WeakPolarHBondContact O-CB 3.45Å; Q830-R848 PolarHBondContact O-N 3.19Å; R848-N852 WeakPolarHBondContact CD-O 3.35Å; R848-N852 WeakPolarHBondContact CD-OD1 3.18Å; R848-N852 PolarHBondContact NH1-O 2.68Å; R848-N853 CarbonylContact C-O 3.57Å; R848-N853 WeakPolarHBondContact CA-O 3.46Å; R848-N853 WeakPolarHBondContact CB-O 3.32Å
849	N	94.6	Very high	94.5	Very high	33 Å²	33	18 Å²	18	18%	0.176	10%	0.102	C	C	.	.			trans	-79.4	-171.5	172.4	80.4	-12.6	0	0	0	111.9	T104 Q830 G851 N852 N853 L855	T104-N849 PolarHBondContact O-ND2 2.96Å; Q830-N849 PolarHBondContact NE2-O 2.95Å; Q830-N849 VanDerWaalsContact NE2-O 3.12Å; N849-G851 VanDerWaalsContact C-N 3.32Å; N849-G851 PolarHBondContact O-N 3.15Å; N849-G851 VanDerWaalsContact OD1-C 3.24Å; N849-G851 WeakPolarHBondContact OD1-CA 3.44Å; N849-G851 PolarHBondContact OD1-N 2.67Å; N849-N852 PolarHBondContact O-N 3.29Å; N849-N852 PolarHBondContact OD1-N 2.91Å; N849-N853 PolarHBondContact N-O 3.5Å; N849-N853 WeakPolarHBondContact OD1-CB 3.26Å; N849-N853 PolarHBondContact OD1-N 3.18Å; N849-L855 HydrophobicContact CB-CD2 4.1Å
850	E	92.5	Very high	94.7	Very high	79 Å²	79	17.5 Å²	17.5	37%	0.369	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-35.3	178.3	-64.5	173.3	154.3	0	0	112.3	P700 Q705 L827 N852	P700-E850 HydrophobicContact CB-CB 4.02Å; P700-E850 HydrophobicContact CG-CB 4.46Å; Q705-E850 WeakPolarHBondContact CG-O 3.44Å; L827-E850 HydrophobicContact CD2-CG 3.64Å; E850-N852 VanDerWaalsContact C-N 3.26Å; E850-N852 PolarHBondContact O-N 3.5Å
851	G	90.9	Very high	94.9	Very high	12 Å²	12	17.3 Å²	17.3	12%	0.124	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	22.8	172.6	0	0	0	0	0	115	Q708 N849 N853	Q708-G851 PolarHBondContact OE1-O 2.79Å; N849-G851 VanDerWaalsContact C-N 3.32Å; N849-G851 PolarHBondContact O-N 3.15Å; N849-G851 VanDerWaalsContact OD1-C 3.24Å; N849-G851 WeakPolarHBondContact OD1-CA 3.44Å; N849-G851 PolarHBondContact OD1-N 2.67Å; G851-N853 PolarHBondContact O-N 3.36Å
852	N	93.4	Very high	95	Very high	16 Å²	16	17.3 Å²	17.3	9%	0.086	10%	0.097	C	C	.	.	S	Bend	trans	55.5	14.2	-178.6	-149.6	58.8	0	0	0	116	Q708 E712 Q830 R848 N849 E850	Q708-N852 HydrophobicContact CB-CB 3.72Å; E712-N852 PolarHBondContact OE2-ND2 3.13Å; Q830-N852 PolarHBondContact NE2-OD1 2.83Å; R848-N852 WeakPolarHBondContact CD-O 3.35Å; R848-N852 WeakPolarHBondContact CD-OD1 3.18Å; R848-N852 PolarHBondContact NH1-O 2.68Å; N849-N852 PolarHBondContact O-N 3.29Å; N849-N852 PolarHBondContact OD1-N 2.91Å; E850-N852 VanDerWaalsContact C-N 3.26Å; E850-N852 PolarHBondContact O-N 3.5Å
853	N	91.1	Very high	94.9	Very high	35 Å²	35	18 Å²	18	19%	0.187	10%	0.101	C	C	.	.	P	Polyproline II helix	trans	-75.6	142.2	175.1	-75.1	-46.6	0	0	0	111.4	L64 T104 R848 N849 G851	L64-N853 HydrophobicContact CD2-CB 4.17Å; T104-N853 PolarHBondContact O-ND2 3.03Å; R848-N853 CarbonylContact C-O 3.57Å; R848-N853 WeakPolarHBondContact CA-O 3.46Å; R848-N853 WeakPolarHBondContact CB-O 3.32Å; N849-N853 PolarHBondContact N-O 3.5Å; N849-N853 WeakPolarHBondContact OD1-CB 3.26Å; N849-N853 PolarHBondContact OD1-N 3.18Å; G851-N853 PolarHBondContact O-N 3.36Å
854	P	91.9	Very high	95	Very high	23 Å²	23	18 Å²	18	15%	0.149	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	135.4	-171.8	28.4	-33.8	0	0	0	112.5	N139	N139-P854 HydrophobicContact CB-CG 4.25Å
855	L	92.6	Very high	94.9	Very high	44 Å²	44	20.2 Å²	20.2	23%	0.23	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	120.7	173.5	-59.4	172.3	0	0	0	109.7	L847 N849 L857 P858	L847-L855 HydrophobicContact CB-CD1 4.15Å; L847-L855 WeakPolarHBondContact O-CB 3.44Å; L847-L855 PolarHBondContact O-N 3.22Å; N849-L855 HydrophobicContact CB-CD2 4.1Å; L855-L857 VanDerWaalsContact C-N 3.25Å; L855-L857 PolarHBondContact O-N 2.79Å; L855-L857 VanDerWaalsContact O-N 3.1Å; L855-P858 HydrophobicContact CB-CB 4.29Å; L855-P858 HydrophobicContact CB-CG 3.92Å; L855-P858 HydrophobicContact CD1-CB 4.29Å; L855-P858 HydrophobicContact CD1-CG 4.19Å
856	S	88.6	Confident	94.7	Very high	20 Å²	20	20.3 Å²	20.3	14%	0.14	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	-6.7	-168.2	-73	0	0	0	0	116.6	E61 C146	E61-S856 PolarHBondContact OE1-OG 2.63Å; C146-S856 CarbonylContact C-O 3.51Å; C146-S856 WeakPolarHBondContact CB-O 3.47Å
857	L	93.1	Very high	94.5	Very high	24 Å²	24	25 Å²	25	13%	0.126	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	-43.6	177	-67.7	179.7	0	0	0	115.1	L147 H150 T172 F758 L855 T859	L147-L857 HydrophobicContact CD2-CD2 3.71Å; H150-L857 HydrophobicContact CB-CD1 4.38Å; H150-L857 HydrophobicContact CB-CD2 3.67Å; H150-L857 HydrophobicContact CB-CG 4Å; T172-L857 HydrophobicContact CG2-CD1 4.09Å; F758-L857 HydrophobicContact CB-CB 3.57Å; F758-L857 HydrophobicContact CB-CD1 4.2Å; F758-L857 HydrophobicContact CB-CG 4.44Å; F758-L857 HydrophobicContact CD1-CD1 4.13Å; F758-L857 HydrophobicContact CD2-CD2 4.5Å; F758-L857 HydrophobicContact CG-CB 4.12Å; F758-L857 HydrophobicContact CG-CD1 4.21Å; L855-L857 VanDerWaalsContact C-N 3.25Å; L855-L857 PolarHBondContact O-N 2.79Å; L855-L857 VanDerWaalsContact O-N 3.1Å; L857-T859 PolarHBondContact O-N 3.21Å; L857-T859 VanDerWaalsContact O-N 3.08Å; L857-T859 PolarHBondContact O-OG1 3.32Å
858	P	96.3	Very high	94.1	Very high	20 Å²	20	28.3 Å²	28.3	13%	0.13	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	114.4	-177	-28.1	35.3	0	0	0	113.1	Q757 F758 L759 L847 L855	Q757-P858 WeakPolarHBondContact O-CA 3.45Å; F758-P858 WeakPolarHBondContact O-CG 3.4Å; L759-P858 HydrophobicContact CD2-CB 4.33Å; L847-P858 HydrophobicContact CB-CB 4.23Å; L847-P858 WeakPolarHBondContact CB-O 3.37Å; L847-P858 HydrophobicContact CD1-CB 3.92Å; L847-P858 HydrophobicContact CG-CB 4.44Å; L847-P858 WeakPolarHBondContact CG-O 3.45Å; L847-P858 PolarHBondContact N-O 3.01Å; L855-P858 HydrophobicContact CB-CB 4.29Å; L855-P858 HydrophobicContact CB-CG 3.92Å; L855-P858 HydrophobicContact CD1-CB 4.29Å; L855-P858 HydrophobicContact CD1-CG 4.19Å
859	T	97.1	Very high	93.8	Very high	9 Å²	9	30.6 Å²	30.6	6%	0.055	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	144.5	-174.3	-55.4	0	0	0	0	110.2	P143 G756 Q757 H844 I845 L857	P143-T859 HydrophobicContact CG-CG2 4.28Å; G756-T859 CarbonylContact C-O 3.51Å; G756-T859 WeakPolarHBondContact CA-O 3.36Å; Q757-T859 PolarHBondContact N-O 3.06Å; Q757-T859 PolarHBondContact O-N 2.96Å; H844-T859 HydrophobicContact CB-CG2 3.85Å; I845-T859 WeakPolarHBondContact O-CA 3.49Å; L857-T859 PolarHBondContact O-N 3.21Å; L857-T859 VanDerWaalsContact O-N 3.08Å; L857-T859 PolarHBondContact O-OG1 3.32Å
860	V	97.8	Very high	93.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	137.9	169.9	175.5	0	0	0	0	109.7	V753 V820 H844 I845 L847	V753-V860 HydrophobicContact CG1-CG1 3.96Å; V820-V860 HydrophobicContact CG2-CG2 3.6Å; H844-V860 CarbonylContact C-O 3.54Å; H844-V860 WeakPolarHBondContact CA-O 3.38Å; I845-V860 HydrophobicContact CB-CB 4.41Å; I845-V860 PolarHBondContact N-O 3.39Å; I845-V860 PolarHBondContact O-N 3Å; L847-V860 HydrophobicContact CD1-CG2 4.33Å; L847-V860 HydrophobicContact CD2-CG2 4.23Å
861	F	97.9	Very high	92.8	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.009	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	122.1	172.9	-177.6	-120.3	0	0	0	110.3	D221 I222 L225 L296 F754 S755 Y842 R843 H844	D221-F861 HydrophobicContact CB-CD1 4.42Å; D221-F861 VanDerWaalsContact OD2-CD1 3.31Å; D221-F861 WeakPolarHBondContact OD2-CD1 3.37Å; I222-F861 HydrophobicContact CG1-CE1 4.28Å; I222-F861 HydrophobicContact CG1-CZ 4.26Å; L225-F861 HydrophobicContact CD2-CZ 4.22Å; L296-F861 HydrophobicContact CD1-CE2 4.48Å; L296-F861 HydrophobicContact CD1-CZ 4.37Å; F754-F861 HydrophobicContact CB-CD1 4.08Å; F754-F861 HydrophobicContact CD2-CD1 4.35Å; F754-F861 HydrophobicContact CD2-CE1 4.43Å; F754-F861 PolarHBondContact N-O 3.02Å; S755-F861 PolarHBondContact N-O 3.34Å; S755-F861 PolarHBondContact O-N 3.44Å; S755-F861 WeakPolarHBondContact OG-CB 3.29Å; Y842-F861 HydrophobicContact CD1-CE1 4.46Å; Y842-F861 AromaticContact CD1-CZ 3.99Å; Y842-F861 HydrophobicContact CD1-CZ 3.99Å; Y842-F861 HydrophobicContact CG-CZ 4.36Å; R843-F861 WeakPolarHBondContact O-CD2 3.49Å; H844-F861 AromaticContact CD2-CD2 3.66Å; H844-F861 AromaticContact CE1-CD2 3.63Å; H844-F861 AromaticContact CE1-CE2 3.85Å; H844-F861 AromaticContact CG-CD2 3.95Å; H844-F861 AromaticContact ND1-CD2 3.94Å; H844-F861 AromaticContact NE2-CD2 3.44Å; H844-F861 WeakPolarHBondContact NE2-CD2 3.11Å; H844-F861 AromaticContact NE2-CG 3.92Å
862	C	97.6	Very high	92.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	158.5	-175.6	62.9	0	0	0	0	112.3	V751 Q752 Y842 R843 I845	V751-C862 HydrophobicContact CG1-CB 4.26Å; Q752-C862 CarbonylContact O-C 3.58Å; Q752-C862 WeakPolarHBondContact O-CA 3.45Å; Q752-C862 WeakPolarHBondContact O-CB 3.45Å; Y842-C862 WeakPolarHBondContact CA-O 3.32Å; R843-C862 PolarHBondContact N-O 3.47Å; R843-C862 PolarHBondContact O-N 3.06Å; I845-C862 VanDerWaalsContact CG1-SG 3.58Å
863	Q	97.3	Very high	91.6	Very high	23 Å²	23	40.5 Å²	40.5	11%	0.107	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	122.5	164	-175.4	176.3	11.5	0	0	109.6	V751 Q752 F754 G841 Y842 I865	V751-Q863 WeakPolarHBondContact CA-O 3.45Å; Q752-Q863 PolarHBondContact N-O 2.86Å; Q752-Q863 PolarHBondContact O-N 3Å; F754-Q863 HydrophobicContact CE2-CB 3.7Å; F754-Q863 HydrophobicContact CZ-CB 4.36Å; G841-Q863 WeakPolarHBondContact O-CA 3.3Å; Y842-Q863 HydrophobicContact CD1-CB 3.82Å; Y842-Q863 HydrophobicContact CD1-CG 4.24Å; Y842-Q863 HydrophobicContact CE1-CB 3.75Å; Y842-Q863 HydrophobicContact CE1-CG 4.06Å; Y842-Q863 HydrophobicContact CE2-CG 4.44Å; Y842-Q863 HydrophobicContact CG-CB 4.45Å; Y842-Q863 HydrophobicContact CG-CG 4.48Å; Y842-Q863 VanDerWaalsContact CZ-CD 3.42Å; Y842-Q863 PolarHBondContact OH-OE1 3.2Å; Q863-I865 HydrophobicContact CG-CD1 4.49Å; Q863-I865 HydrophobicContact CG-CG1 4.04Å
864	I	97.5	Very high	91.1	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	125.6	172.9	-53.7	179.9	0	0	0	107.6	S750 L838 A840 G841 R843 I845 L866	S750-I864 CarbonylContact O-C 3.26Å; S750-I864 WeakPolarHBondContact O-CA 3.36Å; L838-I864 HydrophobicContact CD1-CD1 4.2Å; L838-I864 HydrophobicContact CD2-CG2 4.09Å; L838-I864 HydrophobicContact CG-CG2 4.48Å; A840-I864 CarbonylContact C-O 3.56Å; A840-I864 WeakPolarHBondContact CA-O 3.25Å; G841-I864 PolarHBondContact N-O 3.4Å; G841-I864 PolarHBondContact O-N 2.85Å; R843-I864 HydrophobicContact CG-CD1 4.49Å; I845-I864 HydrophobicContact CD1-CD1 4.48Å; I864-L866 HydrophobicContact CG2-CD1 4.28Å; I864-L866 HydrophobicContact CG2-CD2 3.98Å; I864-L866 HydrophobicContact CG2-CG 3.96Å
865	I	95.5	Very high	90.5	Very high	53 Å²	53	44.7 Å²	44.7	27%	0.272	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	118.7	177.5	-59.9	171.6	0	0	0	107.6	C749 S750 Q863 K867	C749-I865 CarbonylContact C-O 3.6Å; C749-I865 WeakPolarHBondContact CA-O 3.12Å; S750-I865 PolarHBondContact N-O 3.39Å; S750-I865 PolarHBondContact O-N 2.8Å; Q863-I865 HydrophobicContact CG-CD1 4.49Å; Q863-I865 HydrophobicContact CG-CG1 4.04Å; I865-K867 HydrophobicContact CG2-CD 4.49Å; I865-K867 HydrophobicContact CG2-CG 4.34Å
866	L	94.3	Very high	89.9	Confident	3 Å²	3	46 Å²	46	2%	0.016	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	133.4	-179.3	-57.7	171.6	0	0	0	108.6	P253 C749 L838 A840 I864	P253-L866 VanDerWaalsContact CD-O 3.29Å; P253-L866 WeakPolarHBondContact CD-O 3.34Å; P253-L866 VanDerWaalsContact CG-O 3.23Å; P253-L866 WeakPolarHBondContact CG-O 3.32Å; C749-L866 HydrophobicContact CB-CD2 3.96Å; L838-L866 HydrophobicContact CB-CD1 4.11Å; L838-L866 HydrophobicContact CD2-CD1 4.14Å; L838-L866 HydrophobicContact CD2-CD2 4.08Å; L838-L866 HydrophobicContact CG-CD1 4.06Å; L838-L866 WeakPolarHBondContact O-CD1 3.36Å; A840-L866 HydrophobicContact CB-CB 4.28Å; A840-L866 HydrophobicContact CB-CD1 4.23Å; A840-L866 HydrophobicContact CB-CG 4.25Å; I864-L866 HydrophobicContact CG2-CD1 4.28Å; I864-L866 HydrophobicContact CG2-CD2 3.98Å; I864-L866 HydrophobicContact CG2-CG 3.96Å
867	K	91.3	Very high	89.7	Confident	121 Å²	121	49.6 Å²	49.6	53%	0.526	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	157.6	179.8	-64.4	-177.5	178.5	-179.1	0	109.8	A747 T748 I865	A747-K867 CarbonylContact C-O 3.58Å; A747-K867 WeakPolarHBondContact CA-O 3.49Å; T748-K867 PolarHBondContact N-O 3.37Å; T748-K867 PolarHBondContact O-N 3.34Å; I865-K867 HydrophobicContact CG2-CD 4.49Å; I865-K867 HydrophobicContact CG2-CG 4.34Å
868	T	90	Very high	89.1	Confident	72 Å²	72	51.1 Å²	51.1	44%	0.442	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	135.5	162.7	-55.3	0	0	0	0	109.3	I745 V870	I745-T868 HydrophobicContact CG2-CG2 3.68Å; T868-V870 PolarHBondContact O-N 3.3Å
869	Y	88	Confident	88.4	Confident	53 Å²	53	55.8 Å²	55.8	21%	0.208	33%	0.325	C	S	.	.			trans	-71.3	126.3	172	170.2	-108.1	0	0	0	109.7	A746 R806 K807 P871	A746-Y869 HydrophobicContact CB-CD1 4.05Å; A746-Y869 HydrophobicContact CB-CG 4.41Å; A746-Y869 WeakPolarHBondContact O-CB 3.43Å; A746-Y869 PolarHBondContact O-N 3.43Å; R806-Y869 WeakPolarHBondContact O-CD2 3.42Å; K807-Y869 HydrophobicContact CB-CD2 4.15Å; K807-Y869 HydrophobicContact CB-CE2 3.98Å; K807-Y869 HydrophobicContact CD-CE1 4.49Å; K807-Y869 HydrophobicContact CG-CD1 4.3Å; K807-Y869 HydrophobicContact CG-CD2 4.15Å; K807-Y869 HydrophobicContact CG-CE1 4.03Å; K807-Y869 HydrophobicContact CG-CE2 3.89Å; K807-Y869 HydrophobicContact CG-CG 4.35Å; Y869-P871 HydrophobicContact CE1-CG 3.91Å
870	V	84.3	Confident	87.7	Confident	53 Å²	53	56.2 Å²	56.2	32%	0.321	33%	0.33	S	S	.	.			trans	-116.2	121.6	174.8	179.8	0	0	0	0	108.2	T868 F874 V878	T868-V870 PolarHBondContact O-N 3.3Å; V870-F874 HydrophobicContact CG1-CB 4.2Å; V870-V878 HydrophobicContact CG1-CB 4.47Å; V870-V878 HydrophobicContact CG1-CG2 3.73Å; V870-V878 HydrophobicContact CG2-CG1 4.31Å; V870-V878 HydrophobicContact CG2-CG2 4.1Å
871	P	82.2	Confident	87.2	Confident	59 Å²	59	62.7 Å²	62.7	38%	0.383	36%	0.364	S	S	.	.			trans	-61.6	147	176.4	-23.3	33.4	0	0	0	112.8	Y869 G873 F874	Y869-P871 HydrophobicContact CE1-CG 3.91Å; P871-G873 PolarHBondContact O-N 3.35Å; P871-F874 HydrophobicContact CB-CD2 4.04Å; P871-F874 WeakPolarHBondContact O-CB 3.34Å; P871-F874 PolarHBondContact O-N 3.36Å; P871-F874 VanDerWaalsContact O-N 3.08Å
872	D	80.9	Confident	86.4	Confident	160 Å²	160	67.2 Å²	67.2	86%	0.856	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	136.2	178.9	-68.7	-52.1	0	0	0	111.7	F874	D872-F874 VanDerWaalsContact C-N 3.32Å; D872-F874 PolarHBondContact O-N 2.92Å
873	G	77.8	Confident	85.6	Confident	75 Å²	75	70.3 Å²	70.3	77%	0.773	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.9	-19.8	-174.9	0	0	0	0	0	115.4	P871	P871-G873 PolarHBondContact O-N 3.35Å
874	F	80.9	Confident	84.9	Confident	118 Å²	118	72.4 Å²	72.4	52%	0.518	43%	0.428	S	S	.	.			trans	-89.6	-8.9	-179.4	-73	-93.8	0	0	0	114.6	V870 P871 D872 A876 I877 V878	V870-F874 HydrophobicContact CG1-CB 4.2Å; P871-F874 HydrophobicContact CB-CD2 4.04Å; P871-F874 WeakPolarHBondContact O-CB 3.34Å; P871-F874 PolarHBondContact O-N 3.36Å; P871-F874 VanDerWaalsContact O-N 3.08Å; D872-F874 VanDerWaalsContact C-N 3.32Å; D872-F874 PolarHBondContact O-N 2.92Å; F874-A876 PolarHBondContact O-N 3.44Å; F874-I877 HydrophobicContact CD1-CD1 3.9Å; F874-I877 HydrophobicContact CE1-CD1 4.34Å; F874-I877 WeakPolarHBondContact O-CA 3.3Å; F874-I877 WeakPolarHBondContact O-CB 3.36Å; F874-I877 PolarHBondContact O-N 2.91Å; F874-V878 PolarHBondContact O-N 2.93Å; F874-V878 VanDerWaalsContact O-N 3.07Å
875	G	80.5	Confident	84.1	Confident	29 Å²	29	80.4 Å²	80.4	30%	0.299	46%	0.463	S	S	.	.	H	α-helix	trans	-49.5	-48.8	-177.8	0	0	0	0	0	114.2	I877 V878 D879	G875-I877 PolarHBondContact O-N 3.33Å; G875-V878 PolarHBondContact O-N 3.29Å; G875-D879 PolarHBondContact O-N 2.9Å
876	A	78.9	Confident	83.4	Confident	71 Å²	71	84 Å²	84	59%	0.587	48%	0.477	S	S	*	.	H	α-helix	trans	-65.2	-22.3	179.6	0	0	0	0	0	114.3	F874 A880	F874-A876 PolarHBondContact O-N 3.44Å; A876-A880 WeakPolarHBondContact O-CB 3.29Å; A876-A880 PolarHBondContact O-N 3.38Å
877	I	83.9	Confident	82.8	Confident	96 Å²	96	89.3 Å²	89.3	49%	0.492	50%	0.5	S	S	.	.	H	α-helix	trans	-79.4	-41.4	173	-64	165.4	0	0	0	109.6	F874 G875 A880 L881	F874-I877 HydrophobicContact CD1-CD1 3.9Å; F874-I877 HydrophobicContact CE1-CD1 4.34Å; F874-I877 WeakPolarHBondContact O-CA 3.3Å; F874-I877 WeakPolarHBondContact O-CB 3.36Å; F874-I877 PolarHBondContact O-N 2.91Å; G875-I877 PolarHBondContact O-N 3.33Å; I877-A880 PolarHBondContact O-N 3.47Å; I877-L881 HydrophobicContact CG2-CD1 4.05Å; I877-L881 VanDerWaalsContact O-CG 3.31Å; I877-L881 WeakPolarHBondContact O-CG 3.36Å; I877-L881 PolarHBondContact O-N 2.88Å
878	V	81.7	Confident	82.2	Confident	56 Å²	56	88.2 Å²	88.2	34%	0.339	50%	0.499	S	S	.	.	H	α-helix	trans	-63	-46.5	175.4	178.4	0	0	0	0	110.9	V870 F874 G875 A880 L881 S882	V870-V878 HydrophobicContact CG1-CB 4.47Å; V870-V878 HydrophobicContact CG1-CG2 3.73Å; V870-V878 HydrophobicContact CG2-CG1 4.31Å; V870-V878 HydrophobicContact CG2-CG2 4.1Å; F874-V878 PolarHBondContact O-N 2.93Å; F874-V878 VanDerWaalsContact O-N 3.07Å; G875-V878 PolarHBondContact O-N 3.29Å; V878-A880 VanDerWaalsContact C-N 3.26Å; V878-A880 PolarHBondContact O-N 2.8Å; V878-L881 PolarHBondContact O-N 3Å; V878-S882 PolarHBondContact O-N 2.97Å; V878-S882 PolarHBondContact O-OG 2.93Å
879	D	81.4	Confident	81.8	Confident	117 Å²	117	87.5 Å²	87.5	63%	0.626	50%	0.495	S	S	*	.	H	α-helix	trans	-56.1	-40.6	175.5	-68.4	-30.8	0	0	0	112	G875 S882 D883	G875-D879 PolarHBondContact O-N 2.9Å; D879-S882 PolarHBondContact O-N 3.08Å; D879-D883 PolarHBondContact O-N 3.13Å; D879-D883 VanDerWaalsContact O-N 3.1Å
880	A	82.9	Confident	81.4	Confident	19 Å²	19	89.5 Å²	89.5	16%	0.157	51%	0.508	C	S	.	.	H	α-helix	trans	-72.3	-27.2	177.7	0	0	0	0	0	113.6	A876 I877 V878 P884 F887	A876-A880 WeakPolarHBondContact O-CB 3.29Å; A876-A880 PolarHBondContact O-N 3.38Å; I877-A880 PolarHBondContact O-N 3.47Å; V878-A880 VanDerWaalsContact C-N 3.26Å; V878-A880 PolarHBondContact O-N 2.8Å; A880-P884 WeakPolarHBondContact O-CA 3.26Å; A880-P884 WeakPolarHBondContact O-CB 3.41Å; A880-F887 HydrophobicContact CB-CB 4.11Å; A880-F887 HydrophobicContact CB-CD1 4.21Å; A880-F887 HydrophobicContact CB-CD2 3.51Å; A880-F887 HydrophobicContact CB-CE2 3.92Å; A880-F887 HydrophobicContact CB-CG 3.67Å; A880-F887 HydrophobicContact CB-CZ 4.43Å
881	L	85.5	Confident	80.9	Confident	136 Å²	136	89.4 Å²	89.4	71%	0.712	51%	0.512	S	S	*	.	H	α-helix	trans	-80.7	-31.1	173.3	-70.5	170.1	0	0	0	112.3	I877 V878	I877-L881 HydrophobicContact CG2-CD1 4.05Å; I877-L881 VanDerWaalsContact O-CG 3.31Å; I877-L881 WeakPolarHBondContact O-CG 3.36Å; I877-L881 PolarHBondContact O-N 2.88Å; V878-L881 PolarHBondContact O-N 3Å
882	S	81.3	Confident	80.8	Confident	97 Å²	97	91.9 Å²	91.9	68%	0.678	52%	0.519	S	S	*	.	H	α-helix	trans	-73.8	-36.9	176	-65.4	0	0	0	0	113.2	V878 D879	V878-S882 PolarHBondContact O-N 2.97Å; V878-S882 PolarHBondContact O-OG 2.93Å; D879-S882 PolarHBondContact O-N 3.08Å
883	D	82.1	Confident	80.8	Confident	65 Å²	65	90.3 Å²	90.3	35%	0.348	51%	0.505	S	S	.	.			trans	-136.8	76.7	172.7	-169	-12.4	0	0	0	111.9	D879 K885 K886 F887	D879-D883 PolarHBondContact O-N 3.13Å; D879-D883 VanDerWaalsContact O-N 3.1Å; D883-K885 PolarHBondContact O-N 3.27Å; D883-K885 PolarHBondContact OD1-N 2.69Å; D883-K886 HydrophobicContact CB-CB 4.07Å; D883-K886 HydrophobicContact CB-CD 4.37Å; D883-K886 PolarHBondContact O-N 2.84Å; D883-K886 VanDerWaalsContact OD1-CB 3.28Å; D883-K886 WeakPolarHBondContact OD1-CB 3.1Å; D883-K886 PolarHBondContact OD1-N 3.38Å; D883-K886 WeakPolarHBondContact OD2-CB 3.29Å; D883-K886 WeakPolarHBondContact OD2-CD 3.33Å; D883-F887 PolarHBondContact O-N 2.8Å
884	P	82.7	Confident	80.8	Confident	67 Å²	67	94.2 Å²	94.2	44%	0.435	50%	0.496	S	S	.	.	H	α-helix	trans	-65.5	-27	-178.9	25.2	-34.2	0	0	0	112.4	A880 L888	A880-P884 WeakPolarHBondContact O-CA 3.26Å; A880-P884 WeakPolarHBondContact O-CB 3.41Å; P884-L888 WeakPolarHBondContact O-CB 3.28Å; P884-L888 WeakPolarHBondContact O-CG 3.04Å; P884-L888 PolarHBondContact O-N 3.37Å
885	K	80.1	Confident	80.5	Confident	168 Å²	168	90.6 Å²	90.6	73%	0.73	49%	0.488	S	S	*	.	H	α-helix	trans	-67.9	-46.6	177.8	-73.3	180	177.9	175.5	0	111.1	D883 L888 T889	D883-K885 PolarHBondContact O-N 3.27Å; D883-K885 PolarHBondContact OD1-N 2.69Å; K885-L888 PolarHBondContact O-N 2.68Å; K885-T889 WeakPolarHBondContact O-CB 3.2Å; K885-T889 PolarHBondContact O-N 2.91Å; K885-T889 PolarHBondContact O-OG1 3.12Å
886	K	81.8	Confident	80.4	Confident	129 Å²	129	94.2 Å²	94.2	56%	0.561	50%	0.5	S	S	*	.	H	α-helix	trans	-66.5	-39.3	175.7	177.8	-179.8	172.2	-172	0	111.9	D883 T889 I890	D883-K886 HydrophobicContact CB-CB 4.07Å; D883-K886 HydrophobicContact CB-CD 4.37Å; D883-K886 PolarHBondContact O-N 2.84Å; D883-K886 VanDerWaalsContact OD1-CB 3.28Å; D883-K886 WeakPolarHBondContact OD1-CB 3.1Å; D883-K886 PolarHBondContact OD1-N 3.38Å; D883-K886 WeakPolarHBondContact OD2-CB 3.29Å; D883-K886 WeakPolarHBondContact OD2-CD 3.33Å; K886-T889 PolarHBondContact O-N 3.4Å; K886-I890 HydrophobicContact CG-CD1 3.94Å; K886-I890 WeakPolarHBondContact O-CB 3.46Å; K886-I890 WeakPolarHBondContact O-CD1 3.33Å; K886-I890 VanDerWaalsContact O-CG1 3.23Å; K886-I890 WeakPolarHBondContact O-CG1 3.4Å; K886-I890 PolarHBondContact O-N 2.65Å
887	F	80.2	Confident	80.4	Confident	114 Å²	114	97 Å²	97	50%	0.5	50%	0.501	S	S	.	.	H	α-helix	trans	-60.1	-50.9	174.3	-175.9	-92.7	0	0	0	111.4	A880 D883 I890 A891	A880-F887 HydrophobicContact CB-CB 4.11Å; A880-F887 HydrophobicContact CB-CD1 4.21Å; A880-F887 HydrophobicContact CB-CD2 3.51Å; A880-F887 HydrophobicContact CB-CE2 3.92Å; A880-F887 HydrophobicContact CB-CG 3.67Å; A880-F887 HydrophobicContact CB-CZ 4.43Å; D883-F887 PolarHBondContact O-N 2.8Å; F887-I890 PolarHBondContact O-N 3.01Å; F887-A891 PolarHBondContact O-N 2.79Å
888	L	78.9	Confident	80	Confident	99 Å²	99	96 Å²	96	52%	0.518	50%	0.496	S	S	.	.	H	α-helix	trans	-59.7	-47.3	175.3	-71.7	168.8	0	0	0	111.6	P884 K885 I890 A891 E892	P884-L888 WeakPolarHBondContact O-CB 3.28Å; P884-L888 WeakPolarHBondContact O-CG 3.04Å; P884-L888 PolarHBondContact O-N 3.37Å; K885-L888 PolarHBondContact O-N 2.68Å; L888-I890 PolarHBondContact O-N 2.94Å; L888-A891 CarbonylContact O-C 3.31Å; L888-A891 WeakPolarHBondContact O-CA 3.35Å; L888-A891 WeakPolarHBondContact O-CB 3.33Å; L888-A891 PolarHBondContact O-N 3.38Å; L888-E892 WeakPolarHBondContact O-CB 3.3Å; L888-E892 VanDerWaalsContact O-CG 3.3Å; L888-E892 WeakPolarHBondContact O-CG 3.47Å; L888-E892 PolarHBondContact O-N 3.43Å
889	T	82.8	Confident	79.7	Confident	56 Å²	56	100.6 Å²	100.6	34%	0.344	51%	0.511	S	S	.	.	H	α-helix	trans	-60.4	-31.7	178.3	-57.5	0	0	0	0	112.8	K885 K886 E892 K893	K885-T889 WeakPolarHBondContact O-CB 3.2Å; K885-T889 PolarHBondContact O-N 2.91Å; K885-T889 PolarHBondContact O-OG1 3.12Å; K886-T889 PolarHBondContact O-N 3.4Å; T889-E892 WeakPolarHBondContact CA-OE2 3.42Å; T889-K893 HydrophobicContact CG2-CD 4.24Å; T889-K893 VanDerWaalsContact O-CB 3.32Å; T889-K893 WeakPolarHBondContact O-CB 3.38Å; T889-K893 VanDerWaalsContact O-CG 3.24Å; T889-K893 WeakPolarHBondContact O-CG 3.27Å; T889-K893 PolarHBondContact O-N 3.13Å
890	I	77.6	Confident	79.5	Confident	96 Å²	96	99.3 Å²	99.3	49%	0.492	52%	0.516	S	S	.	.	H	α-helix	trans	-75.7	-37.8	174.9	-70.5	165.9	0	0	0	110.9	K886 F887 L888 R894	K886-I890 HydrophobicContact CG-CD1 3.94Å; K886-I890 WeakPolarHBondContact O-CB 3.46Å; K886-I890 WeakPolarHBondContact O-CD1 3.33Å; K886-I890 VanDerWaalsContact O-CG1 3.23Å; K886-I890 WeakPolarHBondContact O-CG1 3.4Å; K886-I890 PolarHBondContact O-N 2.65Å; F887-I890 PolarHBondContact O-N 3.01Å; L888-I890 PolarHBondContact O-N 2.94Å; I890-R894 WeakPolarHBondContact O-CB 3.44Å; I890-R894 PolarHBondContact O-N 3.21Å
891	A	74.7	Confident	79	Confident	50 Å²	50	105 Å²	105	41%	0.413	54%	0.543	S	S	.	.	H	α-helix	trans	-66.2	-45.2	174	0	0	0	0	0	111.9	F887 L888 R894 A895	F887-A891 PolarHBondContact O-N 2.79Å; L888-A891 CarbonylContact O-C 3.31Å; L888-A891 WeakPolarHBondContact O-CA 3.35Å; L888-A891 WeakPolarHBondContact O-CB 3.33Å; L888-A891 PolarHBondContact O-N 3.38Å; A891-R894 WeakPolarHBondContact O-CB 3.3Å; A891-R894 PolarHBondContact O-N 2.92Å; A891-A895 PolarHBondContact O-N 2.94Å
892	E	79.8	Confident	78.2	Confident	112 Å²	112	101.6 Å²	101.6	52%	0.523	54%	0.541	S	S	.	.	H	α-helix	trans	-58	-52.6	173.6	-71.6	166.5	167.3	0	0	110.9	L888 T889 R894 A895 D896	L888-E892 WeakPolarHBondContact O-CB 3.3Å; L888-E892 VanDerWaalsContact O-CG 3.3Å; L888-E892 WeakPolarHBondContact O-CG 3.47Å; L888-E892 PolarHBondContact O-N 3.43Å; T889-E892 WeakPolarHBondContact CA-OE2 3.42Å; E892-R894 PolarHBondContact O-N 3.31Å; E892-A895 CarbonylContact O-C 3.5Å; E892-A895 WeakPolarHBondContact O-CB 3.39Å; E892-A895 PolarHBondContact O-N 3.32Å; E892-D896 PolarHBondContact O-N 3.26Å
893	K	80.4	Confident	77.7	Confident	127 Å²	127	100.5 Å²	100.5	55%	0.552	53%	0.527	S	S	*	.	H	α-helix	trans	-60	-32.9	176.3	-76.9	175.5	-179.4	178.9	0	113.2	T889 Q897	T889-K893 HydrophobicContact CG2-CD 4.24Å; T889-K893 VanDerWaalsContact O-CB 3.32Å; T889-K893 WeakPolarHBondContact O-CB 3.38Å; T889-K893 VanDerWaalsContact O-CG 3.24Å; T889-K893 WeakPolarHBondContact O-CG 3.27Å; T889-K893 PolarHBondContact O-N 3.13Å; K893-Q897 WeakPolarHBondContact O-CB 3.33Å; K893-Q897 WeakPolarHBondContact O-CG 3.41Å; K893-Q897 PolarHBondContact O-N 3.11Å
894	R	77.8	Confident	76.9	Confident	157 Å²	157	100.9 Å²	100.9	59%	0.592	53%	0.529	S	S	*	.	H	α-helix	trans	-70.1	-41.5	173.6	178.4	177.2	-75.7	171.4	-3.8	111.3	I890 A891 E892 Q897 M898	I890-R894 WeakPolarHBondContact O-CB 3.44Å; I890-R894 PolarHBondContact O-N 3.21Å; A891-R894 WeakPolarHBondContact O-CB 3.3Å; A891-R894 PolarHBondContact O-N 2.92Å; E892-R894 PolarHBondContact O-N 3.31Å; R894-Q897 PolarHBondContact O-N 3.24Å; R894-M898 HydrophobicContact CG-CE 3.93Å; R894-M898 HydrophobicContact CG-SD 4.18Å; R894-M898 VanDerWaalsContact O-CG 3.31Å; R894-M898 WeakPolarHBondContact O-CG 3.5Å; R894-M898 PolarHBondContact O-N 3.14Å
895	A	75.5	Confident	75.8	Confident	42 Å²	42	102.5 Å²	102.5	35%	0.347	54%	0.538	S	S	.	.	H	α-helix	trans	-65.1	-43.4	175.6	0	0	0	0	0	111.8	A891 E892 Q897 M898 K899	A891-A895 PolarHBondContact O-N 2.94Å; E892-A895 CarbonylContact O-C 3.5Å; E892-A895 WeakPolarHBondContact O-CB 3.39Å; E892-A895 PolarHBondContact O-N 3.32Å; A895-Q897 VanDerWaalsContact C-N 3.33Å; A895-Q897 PolarHBondContact O-N 2.86Å; A895-M898 PolarHBondContact O-N 3.38Å; A895-K899 WeakPolarHBondContact O-CB 3.42Å; A895-K899 PolarHBondContact O-N 2.84Å
896	D	78.9	Confident	75	Confident	104 Å²	104	101.1 Å²	101.1	56%	0.556	54%	0.538	S	S	*	.	H	α-helix	trans	-62.2	-38.9	173.8	-76.9	-28.1	0	0	0	112	E892 K899 A900	E892-D896 PolarHBondContact O-N 3.26Å; D896-K899 PolarHBondContact O-N 2.96Å; D896-A900 VanDerWaalsContact O-CB 3.24Å; D896-A900 WeakPolarHBondContact O-CB 3.2Å; D896-A900 PolarHBondContact O-N 3.2Å
897	Q	78.9	Confident	73.8	Confident	130 Å²	130	101 Å²	101	61%	0.607	54%	0.544	S	S	*	.	H	α-helix	trans	-66.4	-40.9	173.8	-77.1	169.9	6.2	0	0	112.5	K893 R894 A895 A900 L901	K893-Q897 WeakPolarHBondContact O-CB 3.33Å; K893-Q897 WeakPolarHBondContact O-CG 3.41Å; K893-Q897 PolarHBondContact O-N 3.11Å; R894-Q897 PolarHBondContact O-N 3.24Å; A895-Q897 VanDerWaalsContact C-N 3.33Å; A895-Q897 PolarHBondContact O-N 2.86Å; Q897-A900 PolarHBondContact O-N 3.16Å; Q897-L901 VanDerWaalsContact O-CG 3.32Å; Q897-L901 WeakPolarHBondContact O-CG 3.3Å; Q897-L901 PolarHBondContact O-N 3Å; Q897-L901 VanDerWaalsContact O-N 3.07Å
898	M	74.2	Confident	73	Confident	76 Å²	76	99.7 Å²	99.7	37%	0.374	54%	0.541	S	S	.	.	H	α-helix	trans	-62.5	-44.2	173.8	-72.9	169.4	168.3	0	0	111.3	R894 A895 L901 G902 I903 I908	R894-M898 HydrophobicContact CG-CE 3.93Å; R894-M898 HydrophobicContact CG-SD 4.18Å; R894-M898 VanDerWaalsContact O-CG 3.31Å; R894-M898 WeakPolarHBondContact O-CG 3.5Å; R894-M898 PolarHBondContact O-N 3.14Å; A895-M898 PolarHBondContact O-N 3.38Å; M898-L901 CarbonylContact O-C 3.51Å; M898-L901 WeakPolarHBondContact O-CB 3.01Å; M898-L901 PolarHBondContact O-N 2.94Å; M898-L901 VanDerWaalsContact O-N 3.14Å; M898-G902 PolarHBondContact O-N 3.49Å; M898-I903 HydrophobicContact CB-CB 4.49Å; M898-I903 WeakPolarHBondContact O-CB 3.42Å; M898-I903 PolarHBondContact O-N 3.08Å; M898-I908 HydrophobicContact SD-CD1 4.3Å
899	K	76.7	Confident	71.8	Confident	152 Å²	152	98.8 Å²	98.8	66%	0.661	55%	0.548	S	S	*	.	H	α-helix	trans	-64.4	-39.1	176.3	-170.5	174	-175.5	174.6	0	112.6	A895 D896 L901 G902	A895-K899 WeakPolarHBondContact O-CB 3.42Å; A895-K899 PolarHBondContact O-N 2.84Å; D896-K899 PolarHBondContact O-N 2.96Å; K899-L901 VanDerWaalsContact C-N 3.25Å; K899-L901 PolarHBondContact O-N 2.9Å; K899-G902 PolarHBondContact O-N 2.95Å
900	A	76.3	Confident	70.4	Confident	89 Å²	89	104 Å²	104	74%	0.736	57%	0.574	S	S	*	*	H	α-helix	trans	-68.1	-23	174.2	0	0	0	0	0	113.3	D896 Q897 G902	D896-A900 VanDerWaalsContact O-CB 3.24Å; D896-A900 WeakPolarHBondContact O-CB 3.2Å; D896-A900 PolarHBondContact O-N 3.2Å; Q897-A900 PolarHBondContact O-N 3.16Å; A900-G902 VanDerWaalsContact C-N 3.26Å
901	L	72.4	Confident	68.7	Low	139 Å²	139	105.6 Å²	105.6	73%	0.728	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	3.7	169.9	-69.3	167.7	0	0	0	113.2	Q897 M898 K899	Q897-L901 VanDerWaalsContact O-CG 3.32Å; Q897-L901 WeakPolarHBondContact O-CG 3.3Å; Q897-L901 PolarHBondContact O-N 3Å; Q897-L901 VanDerWaalsContact O-N 3.07Å; M898-L901 CarbonylContact O-C 3.51Å; M898-L901 WeakPolarHBondContact O-CB 3.01Å; M898-L901 PolarHBondContact O-N 2.94Å; M898-L901 VanDerWaalsContact O-N 3.14Å; K899-L901 VanDerWaalsContact C-N 3.25Å; K899-L901 PolarHBondContact O-N 2.9Å
902	G	69.3	Low	67.1	Low	65 Å²	65	109 Å²	109	67%	0.67	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	80	15.7	178.9	0	0	0	0	0	114.7	M898 K899 A900	M898-G902 PolarHBondContact O-N 3.49Å; K899-G902 PolarHBondContact O-N 2.95Å; A900-G902 VanDerWaalsContact C-N 3.26Å
903	I	69.8	Low	64.9	Low	74 Å²	74	111 Å²	111	38%	0.379	62%	0.62	S	S	.	*			trans	-93.3	110.2	175.4	-51.8	174.8	0	0	0	107.9	M898 I908	M898-I903 HydrophobicContact CB-CB 4.49Å; M898-I903 WeakPolarHBondContact O-CB 3.42Å; M898-I903 PolarHBondContact O-N 3.08Å; I903-I908 HydrophobicContact CG2-CD1 4.07Å; I903-I908 HydrophobicContact CG2-CG1 3.79Å
904	D	65.6	Low	63	Low	72 Å²	72	108.9 Å²	108.9	39%	0.385	63%	0.634	S	S	.	*			trans	-74.2	143.5	170.3	-162.8	-63.3	0	0	0	109.6	N906 D907	D904-N906 PolarHBondContact O-N 3.5Å; D904-N906 VanDerWaalsContact O-N 3.16Å; D904-N906 WeakPolarHBondContact OD1-CB 3.37Å; D904-N906 PolarHBondContact OD1-N 2.68Å; D904-N906 PolarHBondContact OD1-ND2 3.42Å; D904-D907 WeakPolarHBondContact CB-OD2 3.47Å; D904-D907 WeakPolarHBondContact O-CB 3.19Å; D904-D907 PolarHBondContact O-N 3.02Å
905	T	60.5	Low	61	Low	101 Å²	101	106.1 Å²	106.1	62%	0.62	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	-22.8	174.8	43.9	0	0	0	0	113.2	D907	T905-D907 VanDerWaalsContact C-N 3.34Å
906	N	61.9	Low	58.9	Low	140 Å²	140	110.1 Å²	110.1	75%	0.749	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-20	174.4	-63.7	-79	0	0	0	113.4	D904	D904-N906 PolarHBondContact O-N 3.5Å; D904-N906 VanDerWaalsContact O-N 3.16Å; D904-N906 WeakPolarHBondContact OD1-CB 3.37Å; D904-N906 PolarHBondContact OD1-N 2.68Å; D904-N906 PolarHBondContact OD1-ND2 3.42Å
907	D	58.3	Low	56.9	Low	127 Å²	127	114.8 Å²	114.8	68%	0.679	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-10.8	176.5	-63.4	-41.7	0	0	0	112.5	D904 T905 A909	D904-D907 WeakPolarHBondContact CB-OD2 3.47Å; D904-D907 WeakPolarHBondContact O-CB 3.19Å; D904-D907 PolarHBondContact O-N 3.02Å; T905-D907 VanDerWaalsContact C-N 3.34Å; D907-A909 PolarHBondContact O-N 3Å
908	I	62.9	Low	54.6	Low	85 Å²	85	116 Å²	116	44%	0.436	69%	0.69	S	S	.	*			trans	-83.6	101.1	179.3	-55.5	177.9	0	0	0	109.1	M898 I903	M898-I908 HydrophobicContact SD-CD1 4.3Å; I903-I908 HydrophobicContact CG2-CD1 4.07Å; I903-I908 HydrophobicContact CG2-CG1 3.79Å
909	A	53.8	Low	52.6	Low	80 Å²	80	120.1 Å²	120.1	66%	0.661	71%	0.714	S	S	*	*			trans	-66.9	134.9	172.9	0	0	0	0	0	111.8	D907 V911	D907-A909 PolarHBondContact O-N 3Å; A909-V911 PolarHBondContact O-N 3.18Å
910	D	52.4	Low	50.7	Low	165 Å²	165	121.9 Å²	121.9	88%	0.882	72%	0.721	S	S	*	*			trans	-58.1	104.4	172.8	-86.3	-43.7	0	0	0	111.2	P912	D910-P912 VanDerWaalsContact O-CD 3.32Å; D910-P912 WeakPolarHBondContact O-CD 3.33Å
911	V	42.4	Very low	48.6	Very low	131 Å²	131	127.8 Å²	127.8	79%	0.794	73%	0.73	S	S	*	*			trans	-82.6	114.6	173.8	-174.4	0	0	0	0	108.4	A909 N913	A909-V911 PolarHBondContact O-N 3.18Å; V911-N913 PolarHBondContact O-N 2.95Å
912	P	40.6	Very low	46.6	Very low	120 Å²	120	124.6 Å²	124.6	78%	0.779	73%	0.731	S	S	*	*			trans	-65.2	112.6	-175.8	-22.3	35	0	0	0	111.3	D910 G914	D910-P912 VanDerWaalsContact O-CD 3.32Å; D910-P912 WeakPolarHBondContact O-CD 3.33Å; P912-G914 PolarHBondContact O-N 3.29Å
913	N	34.8	Very low	44.7	Very low	155 Å²	155	132 Å²	132	83%	0.829	75%	0.745	S	S	*	*			trans	-69.1	132	-177.6	-153.1	2.2	0	0	0	110.4	V911 S915	V911-N913 PolarHBondContact O-N 2.95Å; N913-S915 VanDerWaalsContact C-N 3.28Å; N913-S915 PolarHBondContact O-N 3.02Å
914	G	40.2	Very low	42.7	Very low	82 Å²	82	131.5 Å²	131.5	85%	0.845	76%	0.758	S	S	*	*	S	Bend	trans	-78	47.5	-155.5	0	0	0	0	0	117.1	P912	P912-G914 PolarHBondContact O-N 3.29Å
915	S	36.4	Very low	41	Very low	100 Å²	100	138.8 Å²	138.8	70%	0.699	79%	0.786	S	S	*	*			trans	-143.7	44.6	-174.5	66.5	0	0	0	0	115.3	N913	N913-S915 VanDerWaalsContact C-N 3.28Å; N913-S915 PolarHBondContact O-N 3.02Å
916	S	30.5	Very low	39.3	Very low	125 Å²	125	137.6 Å²	137.6	87%	0.874	80%	0.795	S	S	*	*	S	Bend	trans	-155.1	163.5	159.3	-98.4	0	0	0	0	115.1
917	K	36.4	Very low	37.6	Very low	203 Å²	203	138.2 Å²	138.2	88%	0.883	80%	0.798	S	S	*	*			trans	-63.3	149.9	-163.9	-66.8	158.8	-179.6	168.1	0	113.3	D919	K917-D919 PolarHBondContact O-N 3.48Å
918	N	31.5	Very low	36.1	Very low	156 Å²	156	138.3 Å²	138.3	83%	0.834	80%	0.803	S	S	*	*			trans	-59.8	126.6	172.1	-83.2	-53.8	0	0	0	111.7
919	D	31.7	Very low	34.4	Very low	161 Å²	161	138.2 Å²	138.2	86%	0.861	82%	0.823	S	S	*	*			trans	-128.2	132.5	139.9	-146.6	-27.5	0	0	0	108.4	K917	K917-D919 PolarHBondContact O-N 3.48Å
920	K	37.9	Very low	33	Very low	189 Å²	189	144.3 Å²	144.3	82%	0.822	84%	0.835	S	S	*	*			trans	-155.1	94.3	-175.4	-118.5	179	-171.3	174.8	0	113.2
921	K	31.4	Very low	31.7	Very low	213 Å²	213	141.3 Å²	141.3	93%	0.926	83%	0.833	S	S	*	*			trans	-91	134.9	146	-106.3	172.8	178.6	168.9	0	107.9
922	G	30.1	Very low	30.8	Very low	73 Å²	73	140 Å²	140	75%	0.753	83%	0.829	S	S	*	*			trans	-151	166.4	-177.9	0	0	0	0	0	114.3
923	K	30.5	Very low	30.1	Very low	220 Å²	220	140 Å²	140	96%	0.957	83%	0.827	S	S	*	*			trans	-169.3	137.5	167.4	-101	170.5	179.5	-179.5	0	106.8
924	G	28	Very low	29.6	Very low	64 Å²	64	137.5 Å²	137.5	66%	0.66	82%	0.817	S	S	*	*			cis	162.1	158	-8.1	0	0	0	0	0	112
925	K	28.5	Very low	28.8	Very low	224 Å²	224	142.2 Å²	142.2	97%	0.974	82%	0.818	S	S	*	*			trans	69.9	152.5	-166.3	-50.9	173.9	174.5	-177.7	0	111.7
926	G	25	Very low	28.3	Very low	77 Å²	77	145.7 Å²	145.7	79%	0.794	82%	0.823	S	S	*	*			cis	152.1	147.9	6.6	0	0	0	0	0	106
927	D	27.1	Very low	28	Very low	153 Å²	153	144.4 Å²	144.4	82%	0.818	82%	0.82	S	S	*	*			cis	-153.8	-166.2	21.3	-168.4	8.1	0	0	0	110.8
928	T	26.3	Very low	27.5	Very low	128 Å²	128	139.7 Å²	139.7	79%	0.785	81%	0.812	S	S	*	*			trans	-51	152.6	-175.1	52.8	0	0	0	0	119.2
929	G	26.6	Very low	27.3	Very low	83 Å²	83	137.9 Å²	137.9	86%	0.856	81%	0.812	S	S	*	*			trans	-174.1	108.9	168.8	0	0	0	0	0	113.9
930	K	25.3	Very low	27.1	Very low	208 Å²	208	137 Å²	137	90%	0.904	81%	0.807	S	S	*	*			trans	-87.2	155.3	-174.2	-80.6	172.1	167.2	175.7	0	114.4
931	A	24.4	Very low	26.7	Very low	102 Å²	102	134.2 Å²	134.2	84%	0.843	80%	0.799	S	S	*	*			trans	68.9	157.8	146	0	0	0	0	0	118.3
932	S	23.7	Very low	26.4	Very low	103 Å²	103	129 Å²	129	72%	0.72	80%	0.796	S	S	*	*			cis	-172.4	178.3	-23.2	-174.1	0	0	0	0	108.5
933	V	25.4	Very low	26.3	Very low	121 Å²	121	133 Å²	133	73%	0.733	79%	0.794	S	S	*	*			trans	73.8	121.3	171.1	-169.8	0	0	0	0	114.2
934	T	24.7	Very low	25.9	Very low	102 Å²	102	128.9 Å²	128.9	63%	0.626	79%	0.788	S	S	*	*			cis	96.1	107.2	18.5	-51.7	0	0	0	0	116
935	Q	24.2	Very low	25.8	Very low	182 Å²	182	130 Å²	130	85%	0.85	79%	0.786	S	S	*	*			trans	-174.9	129.2	135	-98.9	160.9	15.9	0	0	107.2
936	Q	24.6	Very low	25.6	Very low	172 Å²	172	127.3 Å²	127.3	80%	0.804	78%	0.782	S	S	*	*			cis	83	106	41.6	-74.2	-170.4	-78	0	0	115.6
937	A	25.6	Very low	25.6	Very low	98 Å²	98	128.6 Å²	128.6	81%	0.81	78%	0.779	S	S	*	*			trans	-176.9	146.1	134.4	0	0	0	0	0	109.2
938	S	25.5	Very low	25.6	Very low	104 Å²	104	127.2 Å²	127.2	73%	0.727	78%	0.776	S	S	*	*			cis	-174.9	139.3	-17.5	49.8	0	0	0	0	110.4
939	S	28	Very low	25.7	Very low	118 Å²	118	128.9 Å²	128.9	83%	0.825	78%	0.775	S	S	*	*			trans	-170	110.5	143.1	59.8	0	0	0	0	111.1
940	D	26	Very low	25.6	Very low	142 Å²	142	131.1 Å²	131.1	76%	0.759	77%	0.767	S	S	*	*			trans	-71	135.2	178.5	-73.4	-68.8	0	0	0	112.3
941	M	29.5	Very low	25.7	Very low	131 Å²	131	128.1 Å²	128.1	65%	0.645	76%	0.761	S	S	*	*				65	127.7	81.4	-70.4	-161.1	69.3	0	0	116.6	Q943	M941-Q943 HydrophobicContact CE-CB 4.08Å; M941-Q943 VanDerWaalsContact CE-CD 3.41Å; M941-Q943 HydrophobicContact CE-CG 3.59Å
942	A	24.7	Very low	25.7	Very low	105 Å²	105	129 Å²	129	87%	0.868	76%	0.756	S	S	*	*			trans	-142.2	129.1	140.1	0	0	0	0	0	108.6
943	Q	28.4	Very low	25.9	Very low	155 Å²	155	130.8 Å²	130.8	72%	0.724	76%	0.758	S	S	*	*			trans	-132.8	145.3	177.5	-85.3	-174.6	-4.1	0	0	110.4	M941	M941-Q943 HydrophobicContact CE-CB 4.08Å; M941-Q943 VanDerWaalsContact CE-CD 3.41Å; M941-Q943 HydrophobicContact CE-CG 3.59Å
944	T	22.4	Very low	26.3	Very low	134 Å²	134	134 Å²	134	82%	0.822	76%	0.764	S	S	*	*			trans	-145	110.1	144.8	50.8	0	0	0	0	107.3
945	S	26.9	Very low	26.6	Very low	87 Å²	87	136.3 Å²	136.3	61%	0.608	77%	0.773	S	S	*	*				79.8	101.2	50.2	80	0	0	0	0	114.3
946	N	24.2	Very low	27	Very low	169 Å²	169	135.6 Å²	135.6	90%	0.904	77%	0.767	S	S	*	*				-165.2	167.1	120.5	-101.2	-19.4	0	0	0	112.1
947	S	24.5	Very low	27.3	Very low	103 Å²	103	134.8 Å²	134.8	72%	0.72	76%	0.761	S	S	*	*			trans	-130.5	165.4	-167.8	57.7	0	0	0	0	112.1
948	V	27.1	Very low	27.6	Very low	125 Å²	125	134.9 Å²	134.9	76%	0.758	76%	0.762	S	S	*	*				162.6	116.2	129.5	160.7	0	0	0	0	111.8
949	Q	27.9	Very low	28.1	Very low	162 Å²	162	135.8 Å²	135.8	76%	0.757	76%	0.763	S	S	*	*			trans	31.6	122.9	145.1	-60.8	-179.5	-24.9	0	0	123.9
950	N	25.5	Very low	28.4	Very low	130 Å²	130	136.8 Å²	136.8	70%	0.695	76%	0.758	S	S	*	*				78.7	126.2	121.7	-63.6	0.4	0	0	0	124.3
951	N	26.3	Very low	28.9	Very low	145 Å²	145	136.4 Å²	136.4	78%	0.775	76%	0.756	S	S	*	*			trans	86.1	152.1	137.5	-74.2	-1.2	0	0	0	122.4
952	T	25.4	Very low	29.4	Very low	121 Å²	121	134.7 Å²	134.7	74%	0.742	76%	0.763	S	S	*	*			trans	58.8	92.1	172.2	49.6	0	0	0	0	117.8
953	N	26.3	Very low	30.6	Very low	141 Å²	141	133.6 Å²	133.6	75%	0.754	75%	0.754	S	S	*	*				-179.9	125.5	100.2	-93.9	-51.6	0	0	0	112.3	N955	N953-N955 VanDerWaalsContact C-N 3.3Å; N953-N955 PolarHBondContact O-N 3.18Å
954	E	33.9	Very low	32.1	Very low	187 Å²	187	130.4 Å²	130.4	87%	0.874	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-76.7	-13.9	-177.1	-65.2	179	106.3	0	0	113.6	K956	E954-K956 VanDerWaalsContact C-N 3.29Å; E954-K956 PolarHBondContact O-N 3.26Å; E954-K956 VanDerWaalsContact O-N 3.13Å
955	N	31.3	Very low	34.1	Very low	151 Å²	151	125.1 Å²	125.1	81%	0.807	71%	0.708	S	S	*	*	G	3₁₀ helix	trans	-78.3	12	-172.4	-78	-7.9	0	0	0	116.6	N953	N953-N955 VanDerWaalsContact C-N 3.3Å; N953-N955 PolarHBondContact O-N 3.18Å
956	K	32.5	Very low	36.1	Very low	168 Å²	168	125.1 Å²	125.1	73%	0.73	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-101.3	-10.5	174.6	-79.6	-166.5	178	-174.5	0	115.4	E954 A958	E954-K956 VanDerWaalsContact C-N 3.29Å; E954-K956 PolarHBondContact O-N 3.26Å; E954-K956 VanDerWaalsContact O-N 3.13Å; K956-A958 PolarHBondContact O-N 3.5Å
957	K	31.4	Very low	38.2	Very low	154 Å²	154	122 Å²	122	67%	0.67	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-71.4	-28.3	-174.1	-161.4	171.4	-178.9	-178.2	0	113.8	V959	K957-V959 PolarHBondContact O-N 2.7Å
958	A	31.9	Very low	40.9	Very low	101 Å²	101	118.9 Å²	118.9	84%	0.835	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-72.4	-5.1	-176.1	0	0	0	0	0	115.9	K956	K956-A958 PolarHBondContact O-N 3.5Å
959	V	36	Very low	43.8	Very low	122 Å²	122	115.5 Å²	115.5	74%	0.739	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-114.2	-11.6	-174.2	-174	0	0	0	0	112.7	K957	K957-V959 PolarHBondContact O-N 2.7Å
960	L	35.4	Very low	46.5	Very low	140 Å²	140	109.5 Å²	109.5	73%	0.733	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.1	-17	-173.4	-84.7	158.2	0	0	0	114.9	A962	L960-A962 PolarHBondContact O-N 2.73Å
961	D	35.8	Very low	49.4	Very low	134 Å²	134	107.7 Å²	107.7	72%	0.717	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	9.5	-179.4	-73.4	-16.9	0	0	0	113.7
962	A	40.2	Very low	52.3	Low	95 Å²	95	104.3 Å²	104.3	79%	0.785	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	-6.5	-168.3	0	0	0	0	0	116.2	L960	L960-A962 PolarHBondContact O-N 2.73Å
963	A	49.4	Very low	55.3	Low	82 Å²	82	98.7 Å²	98.7	68%	0.678	56%	0.559	S	S	*	*			trans	-146.1	86.3	-177.6	0	0	0	0	0	112.4	V965	A963-V965 VanDerWaalsContact C-N 3.26Å; A963-V965 PolarHBondContact O-N 2.78Å
964	L	59.1	Low	58.2	Low	87 Å²	87	94.4 Å²	94.4	46%	0.455	53%	0.533	S	S	.	.	S	Bend	trans	-76.3	-11.5	175	-80.8	163.4	0	0	0	113.9	I1121	L964-I1121 HydrophobicContact CB-CD1 4.42Å; L964-I1121 HydrophobicContact CD1-CG2 4.49Å; L964-I1121 HydrophobicContact CD2-CD1 4.37Å
965	V	64.3	Low	60.8	Low	23 Å²	23	92.2 Å²	92.2	14%	0.139	52%	0.523	C	S	.	.	S	Bend	trans	-140.9	129.6	-179.6	179.7	0	0	0	0	108.5	A963 Q1114 L1118 L1189	A963-V965 VanDerWaalsContact C-N 3.26Å; A963-V965 PolarHBondContact O-N 2.78Å; V965-Q1114 HydrophobicContact CG1-CB 3.67Å; V965-Q1114 HydrophobicContact CG1-CG 3.44Å; V965-Q1114 VanDerWaalsContact CG1-CG 3.44Å; V965-L1118 HydrophobicContact CG2-CB 4.45Å; V965-L1189 HydrophobicContact CG1-CD1 4.42Å
966	P	68.9	Low	63.6	Low	88 Å²	88	87.8 Å²	87.8	57%	0.571	50%	0.498	S	S	*	.			trans	-77.7	134.4	178.9	30.6	-33.5	0	0	0	112.1	Q1114	P966-Q1114 PolarHBondContact O-NE2 2.99Å
967	N	69.8	Low	66.3	Low	104 Å²	104	87.9 Å²	87.9	56%	0.556	50%	0.499	S	S	*	.			trans	-69.4	145.8	166.8	-81.8	-27.7	0	0	0	110.4	Q1196	N967-Q1196 PolarHBondContact OD1-NE2 3.19Å
968	V	81.4	Confident	69.1	Low	36 Å²	36	82.5 Å²	82.5	22%	0.218	48%	0.48	C	S	.	.			trans	-118.5	138.1	-177	175.2	0	0	0	0	109.8	D972 L973 V1110	V968-D972 HydrophobicContact CG1-CB 3.88Å; V968-L973 HydrophobicContact CG1-CD2 3.99Å; V968-L973 HydrophobicContact CG1-CG 4.28Å; V968-V1110 HydrophobicContact CB-CG1 4.13Å; V968-V1110 HydrophobicContact CG1-CG1 4.49Å; V968-V1110 HydrophobicContact CG2-CG1 3.75Å
969	S	86.3	Confident	71.9	Confident	55 Å²	55	78.6 Å²	78.6	39%	0.385	44%	0.444	S	S	.	.			trans	-97.7	164.2	179.5	79.3	0	0	0	0	112.8	D971 D972 L973	S969-D971 PolarHBondContact O-N 3.18Å; S969-D971 PolarHBondContact OG-N 2.75Å; S969-D972 WeakPolarHBondContact CA-OD2 3.25Å; S969-D972 VanDerWaalsContact CB-OD2 3.25Å; S969-D972 WeakPolarHBondContact CB-OD2 3.32Å; S969-D972 PolarHBondContact N-OD2 3.13Å; S969-D972 WeakPolarHBondContact O-CB 3.44Å; S969-D972 PolarHBondContact O-N 2.99Å; S969-D972 VanDerWaalsContact OG-CG 3.24Å; S969-D972 PolarHBondContact OG-N 2.93Å; S969-D972 PolarHBondContact OG-OD2 3.15Å; S969-L973 PolarHBondContact O-N 3.2Å
970	I	86.1	Confident	74.5	Confident	35 Å²	35	76.9 Å²	76.9	18%	0.179	43%	0.43	C	S	.	.	H	α-helix	trans	-61.6	-31.5	177.6	-57.9	175.9	0	0	0	111.3	L973 K974 L1200 H1203	I970-L973 WeakPolarHBondContact O-CB 3.4Å; I970-L973 PolarHBondContact O-N 3.11Å; I970-K974 WeakPolarHBondContact O-CG 3.45Å; I970-K974 PolarHBondContact O-N 3.42Å; I970-K974 VanDerWaalsContact O-N 3.1Å; I970-L1200 HydrophobicContact CD1-CB 4.38Å; I970-L1200 HydrophobicContact CD1-CD1 4.25Å; I970-L1200 HydrophobicContact CG1-CD1 4.22Å; I970-L1200 HydrophobicContact CG2-CD1 4.1Å; I970-H1203 HydrophobicContact CD1-CB 3.69Å
971	D	85.8	Confident	77.2	Confident	93 Å²	93	77 Å²	77	50%	0.497	43%	0.425	S	S	.	.	H	α-helix	trans	-80.8	-24.5	-179.2	-62.3	-34.3	0	0	0	112.6	S969 K974 Q975	S969-D971 PolarHBondContact O-N 3.18Å; S969-D971 PolarHBondContact OG-N 2.75Å; D971-K974 PolarHBondContact O-N 3.41Å; D971-K974 WeakPolarHBondContact OD1-CD 3.29Å; D971-K974 IonicContact OD1-NZ 3.53Å; D971-K974 PolarHBondContact OD1-NZ 2.95Å; D971-Q975 WeakPolarHBondContact O-CG 3.49Å; D971-Q975 PolarHBondContact O-N 3.38Å
972	D	87.2	Confident	79.9	Confident	74 Å²	74	71.9 Å²	71.9	40%	0.396	40%	0.398	S	S	.	.	H	α-helix	trans	-64.5	-43.6	166	-57.8	-56.4	0	0	0	110.7	V968 S969 K974 Q975 M976	V968-D972 HydrophobicContact CG1-CB 3.88Å; S969-D972 WeakPolarHBondContact CA-OD2 3.25Å; S969-D972 VanDerWaalsContact CB-OD2 3.25Å; S969-D972 WeakPolarHBondContact CB-OD2 3.32Å; S969-D972 PolarHBondContact N-OD2 3.13Å; S969-D972 WeakPolarHBondContact O-CB 3.44Å; S969-D972 PolarHBondContact O-N 2.99Å; S969-D972 VanDerWaalsContact OG-CG 3.24Å; S969-D972 PolarHBondContact OG-N 2.93Å; S969-D972 PolarHBondContact OG-OD2 3.15Å; D972-K974 VanDerWaalsContact C-N 3.33Å; D972-K974 PolarHBondContact O-N 3Å; D972-Q975 PolarHBondContact O-N 2.91Å; D972-Q975 VanDerWaalsContact O-N 3.14Å; D972-M976 WeakPolarHBondContact O-CG 3.14Å; D972-M976 PolarHBondContact O-N 3.22Å
973	L	87.6	Confident	82.4	Confident	2 Å²	2	70.2 Å²	70.2	1%	0.01	38%	0.375	C	S	.	.	H	α-helix	trans	-60.3	-40.7	175.3	-59.9	176.9	0	0	0	111.6	V968 S969 I970 Q975 M976 L1103 L1106 L1107 V1110 L1200	V968-L973 HydrophobicContact CG1-CD2 3.99Å; V968-L973 HydrophobicContact CG1-CG 4.28Å; S969-L973 PolarHBondContact O-N 3.2Å; I970-L973 WeakPolarHBondContact O-CB 3.4Å; I970-L973 PolarHBondContact O-N 3.11Å; L973-Q975 VanDerWaalsContact C-N 3.32Å; L973-Q975 PolarHBondContact O-N 3.5Å; L973-M976 HydrophobicContact CD2-CE 3.88Å; L973-M976 HydrophobicContact CD2-SD 4.18Å; L973-M976 VanDerWaalsContact O-CB 3.31Å; L973-M976 WeakPolarHBondContact O-CB 3.26Å; L973-M976 WeakPolarHBondContact O-CG 3.49Å; L973-M976 PolarHBondContact O-N 3.05Å; L973-L1103 HydrophobicContact CB-CD2 3.7Å; L973-L1106 HydrophobicContact CD2-CB 4.15Å; L973-L1107 HydrophobicContact CD1-CB 3.9Å; L973-L1107 HydrophobicContact CD1-CD1 4.32Å; L973-V1110 HydrophobicContact CD2-CG2 4.19Å; L973-L1200 HydrophobicContact CD1-CD2 4.46Å
974	K	88.1	Confident	84.4	Confident	52 Å²	52	73.7 Å²	73.7	23%	0.226	38%	0.375	C	S	.	.	H	α-helix	trans	-67.3	-29.3	175.6	-69.2	170.2	-167.3	150.9	0	113.1	I970 D971 D972 M976 Y979 L980 L1103 H1203	I970-K974 WeakPolarHBondContact O-CG 3.45Å; I970-K974 PolarHBondContact O-N 3.42Å; I970-K974 VanDerWaalsContact O-N 3.1Å; D971-K974 PolarHBondContact O-N 3.41Å; D971-K974 WeakPolarHBondContact OD1-CD 3.29Å; D971-K974 IonicContact OD1-NZ 3.53Å; D971-K974 PolarHBondContact OD1-NZ 2.95Å; D972-K974 VanDerWaalsContact C-N 3.33Å; D972-K974 PolarHBondContact O-N 3Å; K974-M976 VanDerWaalsContact C-N 3.26Å; K974-M976 PolarHBondContact O-N 3.45Å; K974-Y979 HydrophobicContact CB-CD1 4.08Å; K974-Y979 HydrophobicContact CB-CE1 4.1Å; K974-Y979 HydrophobicContact CG-CD1 4.3Å; K974-Y979 HydrophobicContact CG-CE1 3.93Å; K974-Y979 WeakPolarHBondContact O-CD1 3.34Å; K974-L980 WeakPolarHBondContact O-CD2 3.29Å; K974-L1103 HydrophobicContact CG-CD2 3.95Å; K974-H1203 PolarHBondContact NZ-NE2 2.96Å
975	Q	89.3	Confident	86	Confident	141 Å²	141	74.9 Å²	74.9	66%	0.659	38%	0.376	S	S	*	.	H	α-helix	trans	-76.3	-10.9	174.1	-73.8	179.8	59.7	0	0	113.3	D971 D972 L973 L980	D971-Q975 WeakPolarHBondContact O-CG 3.49Å; D971-Q975 PolarHBondContact O-N 3.38Å; D972-Q975 PolarHBondContact O-N 2.91Å; D972-Q975 VanDerWaalsContact O-N 3.14Å; L973-Q975 VanDerWaalsContact C-N 3.32Å; L973-Q975 PolarHBondContact O-N 3.5Å; Q975-L980 VanDerWaalsContact O-CD1 3.29Å; Q975-L980 WeakPolarHBondContact O-CD1 3.33Å
976	M	89.6	Confident	87.4	Confident	58 Å²	58	74.1 Å²	74.1	29%	0.286	37%	0.371	S	S	.	.	S	Bend	trans	-62.8	139.6	179.3	-65.7	-168.6	172.3	0	0	112.5	D972 L973 K974 S978 Y979 L980 L1106 V1110	D972-M976 WeakPolarHBondContact O-CG 3.14Å; D972-M976 PolarHBondContact O-N 3.22Å; L973-M976 HydrophobicContact CD2-CE 3.88Å; L973-M976 HydrophobicContact CD2-SD 4.18Å; L973-M976 VanDerWaalsContact O-CB 3.31Å; L973-M976 WeakPolarHBondContact O-CB 3.26Å; L973-M976 WeakPolarHBondContact O-CG 3.49Å; L973-M976 PolarHBondContact O-N 3.05Å; K974-M976 VanDerWaalsContact C-N 3.26Å; K974-M976 PolarHBondContact O-N 3.45Å; M976-S978 WeakPolarHBondContact CB-OG 3.45Å; M976-S978 PolarHBondContact O-N 3.26Å; M976-Y979 PolarHBondContact O-N 2.91Å; M976-L980 PolarHBondContact O-N 3.4Å; M976-L1106 HydrophobicContact CB-CD1 4.42Å; M976-L1106 HydrophobicContact SD-CB 4.38Å; M976-L1106 HydrophobicContact SD-CD1 4.44Å; M976-L1106 HydrophobicContact SD-CD2 4.18Å; M976-V1110 HydrophobicContact CE-CG2 3.77Å
977	K	89.9	Confident	88.4	Confident	169 Å²	169	75 Å²	75	74%	0.735	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-20.6	-178.6	-169.3	175.8	-176.6	177.1	0	113.7	K981	K977-K981 WeakPolarHBondContact O-CD 3.24Å; K977-K981 VanDerWaalsContact O-CG 3.23Å; K977-K981 WeakPolarHBondContact O-CG 3.42Å; K977-K981 PolarHBondContact O-N 3.16Å
978	S	88.5	Confident	89.5	Confident	41 Å²	41	77.6 Å²	77.6	29%	0.287	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-58.7	170.7	42.3	0	0	0	0	111.6	M976 L980 K981 L982 H1102 L1106	M976-S978 WeakPolarHBondContact CB-OG 3.45Å; M976-S978 PolarHBondContact O-N 3.26Å; S978-L980 PolarHBondContact O-N 3.01Å; S978-K981 WeakPolarHBondContact O-CB 3.45Å; S978-K981 PolarHBondContact O-N 3.49Å; S978-L982 PolarHBondContact O-N 2.95Å; S978-L982 VanDerWaalsContact O-N 3.1Å; S978-H1102 WeakPolarHBondContact CB-NE2 3.35Å; S978-L1106 WeakPolarHBondContact OG-CD1 3.41Å; S978-L1106 WeakPolarHBondContact OG-CD2 3.41Å
979	Y	91.3	Very high	90	Very high	19 Å²	19	78.5 Å²	78.5	8%	0.075	38%	0.376	C	S	.	.	H	α-helix	trans	-59.3	-44.5	178	-168.4	-91.9	0	0	0	112.1	K974 M976 K981 L982 I983 Q1099 L1103	K974-Y979 HydrophobicContact CB-CD1 4.08Å; K974-Y979 HydrophobicContact CB-CE1 4.1Å; K974-Y979 HydrophobicContact CG-CD1 4.3Å; K974-Y979 HydrophobicContact CG-CE1 3.93Å; K974-Y979 WeakPolarHBondContact O-CD1 3.34Å; M976-Y979 PolarHBondContact O-N 2.91Å; Y979-K981 PolarHBondContact O-N 3.22Å; Y979-L982 WeakPolarHBondContact O-CB 3.26Å; Y979-L982 PolarHBondContact O-N 3.15Å; Y979-I983 HydrophobicContact CD1-CG1 3.98Å; Y979-I983 HydrophobicContact CE1-CD1 3.81Å; Y979-I983 HydrophobicContact CE1-CG1 3.68Å; Y979-I983 PolarHBondContact O-N 3.24Å; Y979-Q1099 HydrophobicContact CE2-CB 4.09Å; Y979-Q1099 HydrophobicContact CE2-CG 4.21Å; Y979-Q1099 PolarHBondContact OH-OE1 3.48Å; Y979-Q1099 VanDerWaalsContact OH-OE1 3.13Å; Y979-L1103 HydrophobicContact CD2-CD2 3.71Å; Y979-L1103 HydrophobicContact CD2-CG 3.9Å; Y979-L1103 HydrophobicContact CE2-CD1 3.86Å; Y979-L1103 HydrophobicContact CE2-CD2 3.73Å; Y979-L1103 HydrophobicContact CE2-CG 3.55Å; Y979-L1103 HydrophobicContact CG-CD2 4.41Å
980	L	91.4	Very high	90.2	Very high	86 Å²	86	77.2 Å²	77.2	45%	0.45	36%	0.364	S	S	.	.	H	α-helix	trans	-63.6	-22.3	175.9	-64.1	178.9	0	0	0	113.8	K974 Q975 M976 S978 K984	K974-L980 WeakPolarHBondContact O-CD2 3.29Å; Q975-L980 VanDerWaalsContact O-CD1 3.29Å; Q975-L980 WeakPolarHBondContact O-CD1 3.33Å; M976-L980 PolarHBondContact O-N 3.4Å; S978-L980 PolarHBondContact O-N 3.01Å; L980-K984 WeakPolarHBondContact O-CG 3.31Å
981	K	92.1	Very high	90.4	Very high	143 Å²	143	80 Å²	80	62%	0.622	38%	0.379	S	S	*	.	H	α-helix	trans	-77.6	-39.7	169.1	-81.3	172	175.5	-173.3	0	111.6	K977 S978 Y979 K984 K985	K977-K981 WeakPolarHBondContact O-CD 3.24Å; K977-K981 VanDerWaalsContact O-CG 3.23Å; K977-K981 WeakPolarHBondContact O-CG 3.42Å; K977-K981 PolarHBondContact O-N 3.16Å; S978-K981 WeakPolarHBondContact O-CB 3.45Å; S978-K981 PolarHBondContact O-N 3.49Å; Y979-K981 PolarHBondContact O-N 3.22Å; K981-K984 CarbonylContact O-C 3.42Å; K981-K984 PolarHBondContact O-N 3.03Å; K981-K985 PolarHBondContact O-N 3Å
982	L	91.7	Very high	90.7	Very high	27 Å²	27	78.4 Å²	78.4	14%	0.141	38%	0.38	C	S	.	.	H	α-helix	trans	-59.2	-51.3	177.6	179.8	60.8	0	0	0	110.8	S978 Y979 K984 K985 Q986 Q1099 H1102	S978-L982 PolarHBondContact O-N 2.95Å; S978-L982 VanDerWaalsContact O-N 3.1Å; Y979-L982 WeakPolarHBondContact O-CB 3.26Å; Y979-L982 PolarHBondContact O-N 3.15Å; L982-K984 VanDerWaalsContact C-N 3.28Å; L982-K984 PolarHBondContact O-N 2.75Å; L982-K985 WeakPolarHBondContact O-CA 3.36Å; L982-K985 WeakPolarHBondContact O-CB 3.46Å; L982-K985 PolarHBondContact O-N 2.87Å; L982-Q986 HydrophobicContact CD1-CG 4.16Å; L982-Q986 HydrophobicContact CG-CG 4.45Å; L982-Q986 WeakPolarHBondContact O-CG 3.45Å; L982-Q986 PolarHBondContact O-N 3.49Å; L982-Q1099 HydrophobicContact CD2-CG 4.37Å; L982-H1102 HydrophobicContact CD2-CB 3.67Å
983	I	92.8	Very high	90.9	Very high	59 Å²	59	75.8 Å²	75.8	30%	0.303	37%	0.365	S	S	.	.	H	α-helix	trans	-56.7	-42	176.2	-57.5	-57.2	0	0	0	111.6	Y979 K985 Q986 Q987 Q1099	Y979-I983 HydrophobicContact CD1-CG1 3.98Å; Y979-I983 HydrophobicContact CE1-CD1 3.81Å; Y979-I983 HydrophobicContact CE1-CG1 3.68Å; Y979-I983 PolarHBondContact O-N 3.24Å; I983-K985 VanDerWaalsContact C-N 3.32Å; I983-K985 PolarHBondContact O-N 3.38Å; I983-Q986 PolarHBondContact O-N 2.96Å; I983-Q987 WeakPolarHBondContact O-CB 3.07Å; I983-Q987 PolarHBondContact O-N 3.2Å; I983-Q1099 HydrophobicContact CD1-CG 3.78Å
984	K	91.8	Very high	91	Very high	156 Å²	156	80.5 Å²	80.5	68%	0.678	39%	0.386	S	S	*	.	H	α-helix	trans	-70.9	-20.3	176.9	-74.6	179	178.9	179.9	0	114.4	L980 K981 L982 K988	L980-K984 WeakPolarHBondContact O-CG 3.31Å; K981-K984 CarbonylContact O-C 3.42Å; K981-K984 PolarHBondContact O-N 3.03Å; L982-K984 VanDerWaalsContact C-N 3.28Å; L982-K984 PolarHBondContact O-N 2.75Å; K984-K988 WeakPolarHBondContact O-CG 3.34Å
985	K	93.1	Very high	91.1	Very high	111 Å²	111	85.1 Å²	85.1	48%	0.483	41%	0.406	S	S	.	.	H	α-helix	trans	-77.4	-52.9	170.5	176.5	179.8	-179.3	-77.9	0	109.8	K981 L982 I983 Q987 K988 E989	K981-K985 PolarHBondContact O-N 3Å; L982-K985 WeakPolarHBondContact O-CA 3.36Å; L982-K985 WeakPolarHBondContact O-CB 3.46Å; L982-K985 PolarHBondContact O-N 2.87Å; I983-K985 VanDerWaalsContact C-N 3.32Å; I983-K985 PolarHBondContact O-N 3.38Å; K985-Q987 VanDerWaalsContact C-N 3.33Å; K985-Q987 PolarHBondContact O-N 3.03Å; K985-K988 WeakPolarHBondContact O-CA 3.32Å; K985-K988 WeakPolarHBondContact O-CB 3.32Å; K985-K988 PolarHBondContact O-N 3.28Å; K985-E989 VanDerWaalsContact CE-OE1 3.23Å; K985-E989 WeakPolarHBondContact CE-OE1 3.18Å; K985-E989 VanDerWaalsContact CG-OE1 3.28Å; K985-E989 WeakPolarHBondContact CG-OE1 3.35Å; K985-E989 IonicContact NZ-OE1 2.74Å; K985-E989 PolarHBondContact NZ-OE1 3.3Å; K985-E989 IonicContact NZ-OE2 3.47Å; K985-E989 PolarHBondContact O-N 2.87Å
986	Q	92.8	Very high	91.3	Very high	7 Å²	7	82.2 Å²	82.2	3%	0.033	39%	0.391	C	S	.	.	H	α-helix	trans	-57.2	-42.6	-179.7	-67.9	-178.6	-23.3	0	0	112.3	L982 I983 K988 E989 L990 H1095	L982-Q986 HydrophobicContact CD1-CG 4.16Å; L982-Q986 HydrophobicContact CG-CG 4.45Å; L982-Q986 WeakPolarHBondContact O-CG 3.45Å; L982-Q986 PolarHBondContact O-N 3.49Å; I983-Q986 PolarHBondContact O-N 2.96Å; Q986-K988 VanDerWaalsContact C-N 3.3Å; Q986-K988 PolarHBondContact O-N 2.94Å; Q986-E989 PolarHBondContact O-N 3.48Å; Q986-L990 PolarHBondContact O-N 3.11Å; Q986-H1095 HydrophobicContact CG-CB 4.24Å; Q986-H1095 PolarHBondContact NE2-O 2.93Å; Q986-H1095 PolarHBondContact O-CE1 3.3Å
987	Q	91.1	Very high	91.4	Very high	106 Å²	106	79.9 Å²	79.9	50%	0.495	38%	0.379	S	S	.	.	H	α-helix	trans	-62.3	-32.5	174.5	-174.5	62.7	77.7	0	0	113.7	I983 K985 N991	I983-Q987 WeakPolarHBondContact O-CB 3.07Å; I983-Q987 PolarHBondContact O-N 3.2Å; K985-Q987 VanDerWaalsContact C-N 3.33Å; K985-Q987 PolarHBondContact O-N 3.03Å; Q987-N991 PolarHBondContact NE2-OD1 3.31Å; Q987-N991 WeakPolarHBondContact O-CB 3.43Å; Q987-N991 PolarHBondContact O-N 3.15Å; Q987-N991 PolarHBondContact O-ND2 3.44Å; Q987-N991 PolarHBondContact O-OD1 3.27Å
988	K	92.1	Very high	91.4	Very high	160 Å²	160	74.6 Å²	74.6	70%	0.696	36%	0.364	S	S	*	.	H	α-helix	trans	-73.7	-38	175.3	-74.9	179.3	175.6	-172.4	0	111.8	K984 K985 Q986 N991 A992	K984-K988 WeakPolarHBondContact O-CG 3.34Å; K985-K988 WeakPolarHBondContact O-CA 3.32Å; K985-K988 WeakPolarHBondContact O-CB 3.32Å; K985-K988 PolarHBondContact O-N 3.28Å; Q986-K988 VanDerWaalsContact C-N 3.3Å; Q986-K988 PolarHBondContact O-N 2.94Å; K988-N991 PolarHBondContact O-N 3.45Å; K988-A992 WeakPolarHBondContact O-CB 3.33Å; K988-A992 PolarHBondContact O-N 3.49Å
989	E	92.2	Very high	91.5	Very high	55 Å²	55	79.1 Å²	79.1	26%	0.257	38%	0.378	S	S	.	.	H	α-helix	trans	-63.3	-49.8	177.5	-70.1	165	177	0	0	111	K985 Q986 N991 A992 L993 M1091 H1095	K985-E989 VanDerWaalsContact CE-OE1 3.23Å; K985-E989 WeakPolarHBondContact CE-OE1 3.18Å; K985-E989 VanDerWaalsContact CG-OE1 3.28Å; K985-E989 WeakPolarHBondContact CG-OE1 3.35Å; K985-E989 IonicContact NZ-OE1 2.74Å; K985-E989 PolarHBondContact NZ-OE1 3.3Å; K985-E989 IonicContact NZ-OE2 3.47Å; K985-E989 PolarHBondContact O-N 2.87Å; Q986-E989 PolarHBondContact O-N 3.48Å; E989-N991 VanDerWaalsContact C-N 3.31Å; E989-N991 PolarHBondContact O-N 3.31Å; E989-A992 WeakPolarHBondContact O-CB 3.33Å; E989-A992 PolarHBondContact O-N 2.8Å; E989-A992 VanDerWaalsContact O-N 3.07Å; E989-L993 PolarHBondContact O-N 2.76Å; E989-M1091 HydrophobicContact CB-SD 4.13Å; E989-H1095 IonicContact OE2-CD2 3.57Å; E989-H1095 IonicContact OE2-CE1 3.1Å; E989-H1095 IonicContact OE2-NE2 3.4Å; E989-H1095 PolarHBondContact OE2-NE2 2.99Å
990	L	90.1	Very high	91.4	Very high	28 Å²	28	81 Å²	81	15%	0.147	39%	0.39	C	S	.	.	H	α-helix	trans	-62	-37.7	177.1	-174.1	64.3	0	0	0	112.2	Q986 L993 K994 E1088	Q986-L990 PolarHBondContact O-N 3.11Å; L990-L993 PolarHBondContact O-N 3.41Å; L990-K994 WeakPolarHBondContact O-CG 3.33Å; L990-K994 PolarHBondContact O-N 2.87Å; L990-E1088 HydrophobicContact CD1-CG 3.92Å
991	N	90.8	Very high	91.4	Very high	92 Å²	92	79.6 Å²	79.6	49%	0.492	38%	0.381	S	S	.	.	H	α-helix	trans	-69	-32.4	175.1	-71.3	1.4	0	0	0	112.6	Q987 K988 E989 K995	Q987-N991 PolarHBondContact NE2-OD1 3.31Å; Q987-N991 WeakPolarHBondContact O-CB 3.43Å; Q987-N991 PolarHBondContact O-N 3.15Å; Q987-N991 PolarHBondContact O-ND2 3.44Å; Q987-N991 PolarHBondContact O-OD1 3.27Å; K988-N991 PolarHBondContact O-N 3.45Å; E989-N991 VanDerWaalsContact C-N 3.31Å; E989-N991 PolarHBondContact O-N 3.31Å; N991-K995 WeakPolarHBondContact O-CB 3.17Å; N991-K995 PolarHBondContact O-N 3.05Å
992	A	91.9	Very high	91.2	Very high	61 Å²	61	76.4 Å²	76.4	50%	0.504	37%	0.37	S	S	.	.	H	α-helix	trans	-71.8	-41.4	174.1	0	0	0	0	0	111.4	K988 E989 K995 K996	K988-A992 WeakPolarHBondContact O-CB 3.33Å; K988-A992 PolarHBondContact O-N 3.49Å; E989-A992 WeakPolarHBondContact O-CB 3.33Å; E989-A992 PolarHBondContact O-N 2.8Å; E989-A992 VanDerWaalsContact O-N 3.07Å; A992-K995 CarbonylContact O-C 3.6Å; A992-K995 WeakPolarHBondContact O-CA 3Å; A992-K995 WeakPolarHBondContact O-CB 3.45Å; A992-K995 PolarHBondContact O-N 2.97Å; A992-K995 VanDerWaalsContact O-N 3.12Å; A992-K996 PolarHBondContact O-N 3.37Å
993	L	91.1	Very high	91.2	Very high	18 Å²	18	77.8 Å²	77.8	9%	0.094	39%	0.386	C	S	.	.	H	α-helix	trans	-60.2	-48.6	176	-171.5	69.6	0	0	0	111.4	E989 L990 K995 K996 H997 E1087 E1088 M1091	E989-L993 PolarHBondContact O-N 2.76Å; L990-L993 PolarHBondContact O-N 3.41Å; L993-K995 PolarHBondContact O-N 3.36Å; L993-K996 HydrophobicContact CD1-CD 4.34Å; L993-K996 WeakPolarHBondContact O-CA 3.3Å; L993-K996 VanDerWaalsContact O-CB 3.29Å; L993-K996 WeakPolarHBondContact O-CB 3.27Å; L993-K996 PolarHBondContact O-N 2.94Å; L993-H997 VanDerWaalsContact CD1-NE2 3.34Å; L993-H997 WeakPolarHBondContact CD1-NE2 3.45Å; L993-H997 WeakPolarHBondContact CD2-CE1 3.44Å; L993-H997 PolarHBondContact O-N 3.18Å; L993-E1087 WeakPolarHBondContact CD1-OE2 3.34Å; L993-E1087 HydrophobicContact CD2-CB 4.35Å; L993-E1088 HydrophobicContact CD2-CB 4.34Å; L993-E1088 HydrophobicContact CD2-CG 3.74Å; L993-M1091 HydrophobicContact CB-CE 4.23Å; L993-M1091 HydrophobicContact CB-SD 4.14Å; L993-M1091 HydrophobicContact CD1-CE 4.23Å; L993-M1091 HydrophobicContact CD2-CB 4.3Å; L993-M1091 HydrophobicContact CD2-CE 3.89Å; L993-M1091 HydrophobicContact CD2-SD 3.81Å; L993-M1091 HydrophobicContact CG-CE 4.34Å
994	K	89.1	Confident	91	Very high	102 Å²	102	77 Å²	77	44%	0.443	38%	0.382	S	S	.	.	H	α-helix	trans	-58	-33.3	173.8	-74.5	-177.7	171.3	-171.6	0	113.2	L990 S998 E1088	L990-K994 WeakPolarHBondContact O-CG 3.33Å; L990-K994 PolarHBondContact O-N 2.87Å; K994-S998 WeakPolarHBondContact O-CB 3.25Å; K994-S998 PolarHBondContact O-N 3.31Å; K994-E1088 WeakPolarHBondContact CE-OE1 3.49Å; K994-E1088 WeakPolarHBondContact CE-OE2 3.5Å; K994-E1088 WeakPolarHBondContact CG-OE1 3.27Å; K994-E1088 IonicContact NZ-OE1 3.99Å; K994-E1088 IonicContact NZ-OE2 3.42Å; K994-E1088 PolarHBondContact NZ-OE2 3.21Å
995	K	91.1	Very high	90.7	Very high	148 Å²	148	74.8 Å²	74.8	64%	0.643	37%	0.374	S	S	*	.	H	α-helix	trans	-77.9	-21.3	175.6	-165.4	171.1	-175.1	174.1	0	113.6	N991 A992 L993 K999	N991-K995 WeakPolarHBondContact O-CB 3.17Å; N991-K995 PolarHBondContact O-N 3.05Å; A992-K995 CarbonylContact O-C 3.6Å; A992-K995 WeakPolarHBondContact O-CA 3Å; A992-K995 WeakPolarHBondContact O-CB 3.45Å; A992-K995 PolarHBondContact O-N 2.97Å; A992-K995 VanDerWaalsContact O-N 3.12Å; L993-K995 PolarHBondContact O-N 3.36Å; K995-K999 WeakPolarHBondContact O-CG 3.22Å
996	K	92.3	Very high	90.4	Very high	81 Å²	81	76.2 Å²	76.2	35%	0.352	38%	0.38	S	S	.	.	H	α-helix	trans	-69.5	-60.8	162.8	169.1	-162.4	164.8	-164	0	108.7	A992 L993 S998 K999 D1000 E1087	A992-K996 PolarHBondContact O-N 3.37Å; L993-K996 HydrophobicContact CD1-CD 4.34Å; L993-K996 WeakPolarHBondContact O-CA 3.3Å; L993-K996 VanDerWaalsContact O-CB 3.29Å; L993-K996 WeakPolarHBondContact O-CB 3.27Å; L993-K996 PolarHBondContact O-N 2.94Å; K996-S998 VanDerWaalsContact C-N 3.26Å; K996-S998 PolarHBondContact O-N 3.24Å; K996-S998 VanDerWaalsContact O-N 3.11Å; K996-K999 WeakPolarHBondContact O-CA 3.48Å; K996-K999 WeakPolarHBondContact O-CB 3.05Å; K996-K999 PolarHBondContact O-N 3.48Å; K996-D1000 WeakPolarHBondContact CE-OD2 3.24Å; K996-D1000 WeakPolarHBondContact CG-OD2 3.29Å; K996-D1000 PolarHBondContact O-N 3.18Å; K996-E1087 IonicContact NZ-OE1 3.7Å; K996-E1087 PolarHBondContact NZ-OE1 2.96Å; K996-E1087 IonicContact NZ-OE2 2.78Å; K996-E1087 PolarHBondContact NZ-OE2 3.38Å
997	H	92.5	Very high	90.1	Very high	8 Å²	8	78.5 Å²	78.5	4%	0.037	40%	0.4	C	S	.	.	H	α-helix	trans	-52.1	-42.2	-175.1	-64.4	170.5	0	0	0	113.4	L993 D1000 Q1001 H1084 E1087 E1088	L993-H997 VanDerWaalsContact CD1-NE2 3.34Å; L993-H997 WeakPolarHBondContact CD1-NE2 3.45Å; L993-H997 WeakPolarHBondContact CD2-CE1 3.44Å; L993-H997 PolarHBondContact O-N 3.18Å; H997-D1000 PolarHBondContact O-N 3.1Å; H997-Q1001 WeakPolarHBondContact O-CB 3.49Å; H997-Q1001 VanDerWaalsContact O-CG 3.3Å; H997-Q1001 WeakPolarHBondContact O-CG 3.47Å; H997-Q1001 PolarHBondContact O-N 3.22Å; H997-H1084 VanDerWaalsContact CA-CE1 3.48Å; H997-H1084 WeakPolarHBondContact CA-CE1 3.49Å; H997-H1084 HydrophobicContact CB-CB 4.43Å; H997-H1084 AromaticContact CD2-CD2 3.15Å; H997-H1084 PolarHBondContact CD2-CD2 2.89Å; H997-H1084 AromaticContact CD2-CE1 3.99Å; H997-H1084 AromaticContact CD2-CG 3.49Å; H997-H1084 VanDerWaalsContact CD2-CG 3.49Å; H997-H1084 AromaticContact CD2-ND1 4Å; H997-H1084 AromaticContact CD2-NE2 3.49Å; H997-H1084 PolarHBondContact CD2-NE2 3.35Å; H997-H1084 VanDerWaalsContact CE1-C 3.49Å; H997-H1084 PolarHBondContact CE1-O 3.16Å; H997-H1084 AromaticContact CG-CD2 3.68Å; H997-H1084 AromaticContact CG-CG 3.51Å; H997-H1084 AromaticContact CG-ND1 3.76Å; H997-H1084 AromaticContact CG-NE2 3.98Å; H997-H1084 AromaticContact ND1-CG 3.93Å; H997-H1084 AromaticContact NE2-CD2 3.79Å; H997-H1084 PolarHBondContact O-CE1 2.76Å; H997-E1087 IonicContact CD2-OE2 3.77Å; H997-E1087 VanDerWaalsContact CE1-CB 3.43Å; H997-E1087 WeakPolarHBondContact CE1-CB 3.48Å; H997-E1087 WeakPolarHBondContact NE2-CB 3.46Å; H997-E1087 WeakPolarHBondContact NE2-CG 3.42Å; H997-E1087 IonicContact NE2-OE1 2.73Å; H997-E1087 IonicContact NE2-OE2 3.2Å; H997-E1087 PolarHBondContact NE2-OE2 3.35Å; H997-E1088 VanDerWaalsContact CE1-CB 3.48Å; H997-E1088 WeakPolarHBondContact CE1-CB 3.4Å; H997-E1088 WeakPolarHBondContact CE1-CG 3.4Å; H997-E1088 PolarHBondContact CE1-N 2.78Å
998	S	89.4	Confident	90	Very high	58 Å²	58	74.6 Å²	74.6	41%	0.406	38%	0.381	S	S	.	.	H	α-helix	trans	-65.3	-35.5	175.5	-178.7	0	0	0	0	113.7	K994 K996 N1002	K994-S998 WeakPolarHBondContact O-CB 3.25Å; K994-S998 PolarHBondContact O-N 3.31Å; K996-S998 VanDerWaalsContact C-N 3.26Å; K996-S998 PolarHBondContact O-N 3.24Å; K996-S998 VanDerWaalsContact O-N 3.11Å; S998-N1002 WeakPolarHBondContact O-CB 3.5Å; S998-N1002 PolarHBondContact O-N 3.16Å; S998-N1002 PolarHBondContact O-ND2 2.85Å
999	K	91.8	Very high	89.5	Confident	137 Å²	137	70.2 Å²	70.2	60%	0.596	37%	0.371	S	S	*	.	H	α-helix	trans	-67.9	-41.9	173.1	-74.6	174.1	175.4	-173.7	0	111.5	K995 K996 N1002 A1003	K995-K999 WeakPolarHBondContact O-CG 3.22Å; K996-K999 WeakPolarHBondContact O-CA 3.48Å; K996-K999 WeakPolarHBondContact O-CB 3.05Å; K996-K999 PolarHBondContact O-N 3.48Å; K999-N1002 CarbonylContact O-C 3.58Å; K999-N1002 WeakPolarHBondContact O-CB 3.41Å; K999-N1002 PolarHBondContact O-N 3.22Å; K999-A1003 WeakPolarHBondContact O-CB 3.28Å; K999-A1003 PolarHBondContact O-N 3.38Å
1000	D	88.8	Confident	89.2	Confident	58 Å²	58	70.7 Å²	70.7	31%	0.31	38%	0.377	S	S	.	.	H	α-helix	trans	-71.5	-39	-172.3	-59.6	-13.6	0	0	0	110.3	K996 H997 A1003 M1004	K996-D1000 WeakPolarHBondContact CE-OD2 3.24Å; K996-D1000 WeakPolarHBondContact CG-OD2 3.29Å; K996-D1000 PolarHBondContact O-N 3.18Å; H997-D1000 PolarHBondContact O-N 3.1Å; D1000-A1003 PolarHBondContact O-N 3.37Å; D1000-M1004 PolarHBondContact O-N 2.94Å
1001	Q	90.2	Very high	88.7	Confident	56 Å²	56	73.7 Å²	73.7	26%	0.262	39%	0.39	S	S	.	.	H	α-helix	trans	-55.2	-50.9	164.9	-74.2	165	-11.4	0	0	112.2	H997 A1003 M1004 Q1005 W1077 L1080 I1081	H997-Q1001 WeakPolarHBondContact O-CB 3.49Å; H997-Q1001 VanDerWaalsContact O-CG 3.3Å; H997-Q1001 WeakPolarHBondContact O-CG 3.47Å; H997-Q1001 PolarHBondContact O-N 3.22Å; Q1001-A1003 VanDerWaalsContact C-N 3.25Å; Q1001-A1003 PolarHBondContact O-N 3.01Å; Q1001-M1004 PolarHBondContact O-N 2.81Å; Q1001-Q1005 WeakPolarHBondContact O-CB 3.27Å; Q1001-Q1005 PolarHBondContact O-N 2.73Å; Q1001-W1077 HydrophobicContact CB-CH2 3.84Å; Q1001-W1077 HydrophobicContact CB-CZ3 4.34Å; Q1001-W1077 HydrophobicContact CG-CH2 4.14Å; Q1001-W1077 HydrophobicContact CG-CZ2 4.4Å; Q1001-W1077 WeakPolarHBondContact O-CZ3 3.33Å; Q1001-L1080 HydrophobicContact CG-CD2 4.23Å; Q1001-I1081 HydrophobicContact CG-CD1 4.27Å
1002	N	89.8	Confident	88.2	Confident	76 Å²	76	72.3 Å²	72.3	41%	0.406	39%	0.385	S	S	.	.	H	α-helix	trans	-63.4	-28.8	178.2	-89.5	-85.9	0	0	0	113.3	S998 K999 K1006	S998-N1002 WeakPolarHBondContact O-CB 3.5Å; S998-N1002 PolarHBondContact O-N 3.16Å; S998-N1002 PolarHBondContact O-ND2 2.85Å; K999-N1002 CarbonylContact O-C 3.58Å; K999-N1002 WeakPolarHBondContact O-CB 3.41Å; K999-N1002 PolarHBondContact O-N 3.22Å; N1002-K1006 WeakPolarHBondContact O-CD 3.31Å; N1002-K1006 VanDerWaalsContact O-CG 3.26Å; N1002-K1006 WeakPolarHBondContact O-CG 3.42Å; N1002-K1006 PolarHBondContact O-N 2.98Å
1003	A	90.1	Very high	87.6	Confident	57 Å²	57	74.4 Å²	74.4	47%	0.471	39%	0.388	S	S	.	.	H	α-helix	trans	-76.4	-46.6	176.9	0	0	0	0	0	111.2	K999 D1000 Q1001 K1006 A1007	K999-A1003 WeakPolarHBondContact O-CB 3.28Å; K999-A1003 PolarHBondContact O-N 3.38Å; D1000-A1003 PolarHBondContact O-N 3.37Å; Q1001-A1003 VanDerWaalsContact C-N 3.25Å; Q1001-A1003 PolarHBondContact O-N 3.01Å; A1003-K1006 PolarHBondContact O-N 2.93Å; A1003-A1007 PolarHBondContact O-N 2.95Å
1004	M	88.9	Confident	87.1	Confident	43 Å²	43	80 Å²	80	21%	0.212	41%	0.411	C	S	.	.	H	α-helix	trans	-59.2	-48.4	175.4	-179.9	173.7	-80.3	0	0	111.3	D1000 Q1001 K1006 A1007 H1008 E1076 W1077 L1080	D1000-M1004 PolarHBondContact O-N 2.94Å; Q1001-M1004 PolarHBondContact O-N 2.81Å; M1004-K1006 VanDerWaalsContact C-N 3.29Å; M1004-K1006 PolarHBondContact O-N 3.07Å; M1004-A1007 WeakPolarHBondContact O-CB 3.44Å; M1004-A1007 PolarHBondContact O-N 3.06Å; M1004-H1008 WeakPolarHBondContact CG-CE1 3.36Å; M1004-H1008 PolarHBondContact O-N 2.72Å; M1004-E1076 HydrophobicContact CE-CB 4.03Å; M1004-E1076 HydrophobicContact SD-CB 4.26Å; M1004-W1077 HydrophobicContact CB-CE3 4.48Å; M1004-W1077 HydrophobicContact CB-CZ3 4.4Å; M1004-W1077 HydrophobicContact CG-CE3 4.1Å; M1004-W1077 HydrophobicContact CG-CZ3 4.47Å; M1004-W1077 HydrophobicContact SD-CB 4.34Å; M1004-W1077 HydrophobicContact SD-CE3 3.83Å; M1004-L1080 HydrophobicContact CB-CD2 4.2Å; M1004-L1080 HydrophobicContact CE-CB 4Å; M1004-L1080 HydrophobicContact CE-CD2 3.96Å; M1004-L1080 HydrophobicContact CE-CG 4.38Å; M1004-L1080 HydrophobicContact SD-CB 4.15Å; M1004-L1080 HydrophobicContact SD-CD2 3.74Å
1005	Q	85.6	Confident	86.4	Confident	108 Å²	108	77.1 Å²	77.1	51%	0.505	40%	0.401	S	S	.	.	H	α-helix	trans	-57.5	-41.4	178.4	-168.5	179.3	17.3	0	0	112.2	Q1001 H1008 C1009 W1077	Q1001-Q1005 WeakPolarHBondContact O-CB 3.27Å; Q1001-Q1005 PolarHBondContact O-N 2.73Å; Q1005-H1008 PolarHBondContact O-N 3.38Å; Q1005-C1009 PolarHBondContact O-N 2.87Å; Q1005-C1009 PolarHBondContact O-SG 3.29Å; Q1005-C1009 VanDerWaalsContact O-SG 3.32Å; Q1005-W1077 HydrophobicContact CB-CZ3 4.09Å
1006	K	87.8	Confident	85.7	Confident	142 Å²	142	73.3 Å²	73.3	62%	0.617	39%	0.39	S	S	*	.	H	α-helix	trans	-68.1	-36.7	175.8	-74	173.8	-175.5	179.2	0	112.8	N1002 A1003 M1004 T1010	N1002-K1006 WeakPolarHBondContact O-CD 3.31Å; N1002-K1006 VanDerWaalsContact O-CG 3.26Å; N1002-K1006 WeakPolarHBondContact O-CG 3.42Å; N1002-K1006 PolarHBondContact O-N 2.98Å; A1003-K1006 PolarHBondContact O-N 2.93Å; M1004-K1006 VanDerWaalsContact C-N 3.29Å; M1004-K1006 PolarHBondContact O-N 3.07Å; K1006-T1010 VanDerWaalsContact O-CB 3.32Å; K1006-T1010 WeakPolarHBondContact O-CB 3.36Å; K1006-T1010 PolarHBondContact O-N 3.14Å; K1006-T1010 PolarHBondContact O-OG1 3.44Å
1007	A	86.1	Confident	85	Confident	55 Å²	55	71.3 Å²	71.3	46%	0.455	39%	0.386	S	S	.	.	H	α-helix	trans	-65.1	-45.7	175	0	0	0	0	0	111.2	A1003 M1004 T1010 Q1011	A1003-A1007 PolarHBondContact O-N 2.95Å; M1004-A1007 WeakPolarHBondContact O-CB 3.44Å; M1004-A1007 PolarHBondContact O-N 3.06Å; A1007-T1010 PolarHBondContact O-N 2.95Å; A1007-Q1011 WeakPolarHBondContact O-CB 3.33Å; A1007-Q1011 PolarHBondContact O-N 3.43Å
1008	H	87.8	Confident	84.3	Confident	23 Å²	23	75.9 Å²	75.9	11%	0.106	41%	0.41	C	S	.	.	H	α-helix	trans	-58	-50.8	175.7	-67.9	172.4	0	0	0	111.9	M1004 Q1005 T1010 Q1011 V1012 H1073 E1076	M1004-H1008 WeakPolarHBondContact CG-CE1 3.36Å; M1004-H1008 PolarHBondContact O-N 2.72Å; Q1005-H1008 PolarHBondContact O-N 3.38Å; H1008-T1010 PolarHBondContact O-N 2.9Å; H1008-Q1011 PolarHBondContact O-N 3.42Å; H1008-V1012 PolarHBondContact O-N 2.85Å; H1008-V1012 VanDerWaalsContact O-N 3.11Å; H1008-H1073 AromaticContact CD2-CD2 3.17Å; H1008-H1073 PolarHBondContact CD2-CD2 3.33Å; H1008-H1073 AromaticContact CD2-CE1 3.88Å; H1008-H1073 AromaticContact CD2-CG 3.58Å; H1008-H1073 AromaticContact CD2-NE2 3.38Å; H1008-H1073 PolarHBondContact CD2-NE2 2.95Å; H1008-H1073 AromaticContact CE1-CD2 4Å; H1008-H1073 AromaticContact CE1-CG 3.93Å; H1008-H1073 PolarHBondContact CE1-O 2.86Å; H1008-H1073 AromaticContact CG-CD2 3.71Å; H1008-H1073 AromaticContact CG-CE1 3.92Å; H1008-H1073 AromaticContact CG-CG 3.62Å; H1008-H1073 AromaticContact CG-ND1 3.78Å; H1008-H1073 AromaticContact CG-NE2 3.88Å; H1008-H1073 AromaticContact ND1-CG 3.88Å; H1008-H1073 AromaticContact NE2-CD2 3.39Å; H1008-H1073 PolarHBondContact NE2-CD2 3.09Å; H1008-H1073 AromaticContact NE2-CG 3.77Å; H1008-E1076 IonicContact CD2-OE2 3.97Å; H1008-E1076 IonicContact CE1-OE2 3.94Å; H1008-E1076 IonicContact NE2-OE2 2.63Å; H1008-E1076 PolarHBondContact NE2-OE2 2.92Å
1009	C	83.2	Confident	83.6	Confident	69 Å²	69	74.8 Å²	74.8	47%	0.466	40%	0.399	S	S	.	.	H	α-helix	trans	-56.5	-50.3	173.8	-66.8	0	0	0	0	111.9	Q1005 Q1011 V1012 D1013	Q1005-C1009 PolarHBondContact O-N 2.87Å; Q1005-C1009 PolarHBondContact O-SG 3.29Å; Q1005-C1009 VanDerWaalsContact O-SG 3.32Å; C1009-Q1011 PolarHBondContact O-N 3.24Å; C1009-Q1011 VanDerWaalsContact O-N 3.15Å; C1009-V1012 PolarHBondContact O-N 2.74Å; C1009-V1012 VanDerWaalsContact O-N 3.07Å; C1009-D1013 VanDerWaalsContact O-CG 3.25Å; C1009-D1013 PolarHBondContact O-N 3.06Å
1010	T	84.1	Confident	82.9	Confident	65 Å²	65	73.8 Å²	73.8	40%	0.399	40%	0.396	S	S	.	.	H	α-helix	trans	-60.1	-29.4	-179.6	-56.3	0	0	0	0	112.7	K1006 A1007 H1008 K1014	K1006-T1010 VanDerWaalsContact O-CB 3.32Å; K1006-T1010 WeakPolarHBondContact O-CB 3.36Å; K1006-T1010 PolarHBondContact O-N 3.14Å; K1006-T1010 PolarHBondContact O-OG1 3.44Å; A1007-T1010 PolarHBondContact O-N 2.95Å; H1008-T1010 PolarHBondContact O-N 2.9Å; T1010-K1014 HydrophobicContact CG2-CD 4.43Å; T1010-K1014 WeakPolarHBondContact O-CD 3.31Å; T1010-K1014 VanDerWaalsContact O-CG 3.22Å; T1010-K1014 WeakPolarHBondContact O-CG 3.49Å; T1010-K1014 PolarHBondContact O-N 3.26Å
1011	Q	80.8	Confident	82.6	Confident	90 Å²	90	76.2 Å²	76.2	42%	0.421	40%	0.404	S	S	.	.	H	α-helix	trans	-75.2	-40.7	176.6	-170.5	175.3	7.2	0	0	111.8	A1007 H1008 C1009 L1015 H1073	A1007-Q1011 WeakPolarHBondContact O-CB 3.33Å; A1007-Q1011 PolarHBondContact O-N 3.43Å; H1008-Q1011 PolarHBondContact O-N 3.42Å; C1009-Q1011 PolarHBondContact O-N 3.24Å; C1009-Q1011 VanDerWaalsContact O-N 3.15Å; Q1011-L1015 PolarHBondContact O-N 3.45Å; Q1011-H1073 PolarHBondContact OE1-NE2 3.2Å
1012	V	79.7	Confident	82	Confident	64 Å²	64	78.7 Å²	78.7	39%	0.388	42%	0.416	S	S	.	.	H	α-helix	trans	-64.4	-46.9	173.5	175.4	0	0	0	0	110.8	H1008 C1009 K1014 L1015 V1016	H1008-V1012 PolarHBondContact O-N 2.85Å; H1008-V1012 VanDerWaalsContact O-N 3.11Å; C1009-V1012 PolarHBondContact O-N 2.74Å; C1009-V1012 VanDerWaalsContact O-N 3.07Å; V1012-K1014 VanDerWaalsContact C-N 3.27Å; V1012-K1014 PolarHBondContact O-N 2.79Å; V1012-L1015 WeakPolarHBondContact O-CB 3.24Å; V1012-L1015 PolarHBondContact O-N 3.3Å; V1012-V1016 HydrophobicContact CG1-CG2 4.44Å; V1012-V1016 WeakPolarHBondContact O-CG2 3.29Å; V1012-V1016 PolarHBondContact O-N 3.31Å
1013	D	78.9	Confident	81.4	Confident	104 Å²	104	78.9 Å²	78.9	56%	0.556	41%	0.413	S	S	*	.	H	α-helix	trans	-57.7	-39.7	178.8	-65.3	-30.2	0	0	0	112.1	C1009 S1017	C1009-D1013 VanDerWaalsContact O-CG 3.25Å; C1009-D1013 PolarHBondContact O-N 3.06Å; D1013-S1017 VanDerWaalsContact O-CB 3.28Å; D1013-S1017 WeakPolarHBondContact O-CB 3.28Å; D1013-S1017 PolarHBondContact O-N 2.88Å
1014	K	80.9	Confident	80.8	Confident	135 Å²	135	78.5 Å²	78.5	59%	0.587	41%	0.405	S	S	*	.	H	α-helix	trans	-65	-42.3	175.1	-77.8	169.3	-178	173.4	0	112.3	T1010 V1012 S1017 L1018	T1010-K1014 HydrophobicContact CG2-CD 4.43Å; T1010-K1014 WeakPolarHBondContact O-CD 3.31Å; T1010-K1014 VanDerWaalsContact O-CG 3.22Å; T1010-K1014 WeakPolarHBondContact O-CG 3.49Å; T1010-K1014 PolarHBondContact O-N 3.26Å; V1012-K1014 VanDerWaalsContact C-N 3.27Å; V1012-K1014 PolarHBondContact O-N 2.79Å; K1014-S1017 PolarHBondContact O-N 3.11Å; K1014-L1018 WeakPolarHBondContact O-CG 3.31Å; K1014-L1018 PolarHBondContact O-N 2.87Å
1015	L	75.4	Confident	80.5	Confident	42 Å²	42	80.8 Å²	80.8	22%	0.22	42%	0.418	C	S	.	.	H	α-helix	trans	-62.1	-49.1	178.3	-166.2	89	0	0	0	110.7	Q1011 V1012 S1017 L1018 H1019 V1066 I1069	Q1011-L1015 PolarHBondContact O-N 3.45Å; V1012-L1015 WeakPolarHBondContact O-CB 3.24Å; V1012-L1015 PolarHBondContact O-N 3.3Å; L1015-S1017 PolarHBondContact O-N 3.02Å; L1015-L1018 PolarHBondContact O-N 2.69Å; L1015-H1019 PolarHBondContact O-N 3.19Å; L1015-H1019 VanDerWaalsContact O-N 3.11Å; L1015-V1066 HydrophobicContact CD2-CG2 3.86Å; L1015-I1069 HydrophobicContact CD1-CD1 4.14Å; L1015-I1069 HydrophobicContact CD2-CD1 4.33Å
1016	V	75.4	Confident	80	Confident	68 Å²	68	78 Å²	78	41%	0.412	41%	0.406	S	S	.	.	H	α-helix	trans	-59.2	-47.4	177	175.9	0	0	0	0	110.7	V1012 L1018 H1019 E1020	V1012-V1016 HydrophobicContact CG1-CG2 4.44Å; V1012-V1016 WeakPolarHBondContact O-CG2 3.29Å; V1012-V1016 PolarHBondContact O-N 3.31Å; V1016-L1018 VanDerWaalsContact C-N 3.27Å; V1016-L1018 PolarHBondContact O-N 3.27Å; V1016-H1019 PolarHBondContact O-N 2.69Å; V1016-E1020 WeakPolarHBondContact O-CG 3.22Å; V1016-E1020 PolarHBondContact O-N 3.17Å
1017	S	78.9	Confident	79.5	Confident	40 Å²	40	75 Å²	75	28%	0.28	39%	0.394	S	S	.	.	H	α-helix	trans	-64.4	-27.2	179.3	-170.3	0	0	0	0	113.8	D1013 K1014 L1015 K1021	D1013-S1017 VanDerWaalsContact O-CB 3.28Å; D1013-S1017 WeakPolarHBondContact O-CB 3.28Å; D1013-S1017 PolarHBondContact O-N 2.88Å; K1014-S1017 PolarHBondContact O-N 3.11Å; L1015-S1017 PolarHBondContact O-N 3.02Å; S1017-K1021 WeakPolarHBondContact O-CD 3.44Å; S1017-K1021 WeakPolarHBondContact O-CG 3.49Å; S1017-K1021 PolarHBondContact O-N 2.76Å; S1017-K1021 PolarHBondContact OG-NZ 3.27Å
1018	L	76.3	Confident	79.2	Confident	104 Å²	104	77.3 Å²	77.3	55%	0.545	39%	0.394	S	S	.	.	H	α-helix	trans	-72.7	-48.3	173.1	-76.3	165.9	0	0	0	111.1	K1014 L1015 V1016 E1020 K1021 E1022	K1014-L1018 WeakPolarHBondContact O-CG 3.31Å; K1014-L1018 PolarHBondContact O-N 2.87Å; L1015-L1018 PolarHBondContact O-N 2.69Å; V1016-L1018 VanDerWaalsContact C-N 3.27Å; V1016-L1018 PolarHBondContact O-N 3.27Å; L1018-E1020 VanDerWaalsContact C-N 3.32Å; L1018-E1020 PolarHBondContact O-N 3.03Å; L1018-K1021 WeakPolarHBondContact O-CB 3.45Å; L1018-K1021 PolarHBondContact O-N 2.85Å; L1018-E1022 PolarHBondContact O-N 2.87Å
1019	H	76.1	Confident	78.7	Confident	34 Å²	34	81.5 Å²	81.5	16%	0.157	42%	0.417	C	S	.	.	H	α-helix	trans	-58.2	-41	177.1	179.6	-104.4	0	0	0	112.4	L1015 V1016 K1021 E1022 K1023 H1060	L1015-H1019 PolarHBondContact O-N 3.19Å; L1015-H1019 VanDerWaalsContact O-N 3.11Å; V1016-H1019 PolarHBondContact O-N 2.69Å; H1019-K1021 PolarHBondContact O-N 3.06Å; H1019-E1022 PolarHBondContact O-N 2.85Å; H1019-K1023 WeakPolarHBondContact O-CB 3.37Å; H1019-K1023 PolarHBondContact O-N 3.18Å; H1019-H1060 AromaticContact CD2-CD2 3.47Å; H1019-H1060 PolarHBondContact CD2-CD2 2.65Å; H1019-H1060 VanDerWaalsContact CD2-CD2 3.47Å; H1019-H1060 AromaticContact CD2-CG 3.63Å; H1019-H1060 AromaticContact CG-CD2 3.78Å; H1019-H1060 AromaticContact NE2-CG 3.98Å
1020	E	77.3	Confident	78.2	Confident	116 Å²	116	79.8 Å²	79.8	54%	0.542	40%	0.402	S	S	.	.	H	α-helix	trans	-64.6	-35.8	174	-70.8	-175	149.6	0	0	113.4	V1016 L1018 T1024	V1016-E1020 WeakPolarHBondContact O-CG 3.22Å; V1016-E1020 PolarHBondContact O-N 3.17Å; L1018-E1020 VanDerWaalsContact C-N 3.32Å; L1018-E1020 PolarHBondContact O-N 3.03Å; E1020-T1024 WeakPolarHBondContact O-CB 3.44Å; E1020-T1024 WeakPolarHBondContact O-CG2 3.39Å; E1020-T1024 PolarHBondContact O-N 2.69Å; E1020-T1024 PolarHBondContact O-OG1 2.77Å
1021	K	81.9	Confident	77.6	Confident	109 Å²	109	81.4 Å²	81.4	47%	0.474	41%	0.406	S	S	.	.	H	α-helix	trans	-69.7	-39.3	176.3	-75.4	163.8	-172.9	144.2	0	111.9	S1017 L1018 H1019 T1024 N1025	S1017-K1021 WeakPolarHBondContact O-CD 3.44Å; S1017-K1021 WeakPolarHBondContact O-CG 3.49Å; S1017-K1021 PolarHBondContact O-N 2.76Å; S1017-K1021 PolarHBondContact OG-NZ 3.27Å; L1018-K1021 WeakPolarHBondContact O-CB 3.45Å; L1018-K1021 PolarHBondContact O-N 2.85Å; H1019-K1021 PolarHBondContact O-N 3.06Å; K1021-T1024 PolarHBondContact O-OG1 2.84Å; K1021-N1025 WeakPolarHBondContact O-CB 3.42Å; K1021-N1025 PolarHBondContact O-N 2.86Å; K1021-N1025 PolarHBondContact O-ND2 2.87Å
1022	E	77.1	Confident	77.3	Confident	109 Å²	109	84 Å²	84	51%	0.509	42%	0.415	S	S	.	.	H	α-helix	trans	-66.4	-47.4	175.6	-69.3	-172.3	163.5	0	0	111.4	L1018 H1019 T1024 N1025 L1026 L1056	L1018-E1022 PolarHBondContact O-N 2.87Å; H1019-E1022 PolarHBondContact O-N 2.85Å; E1022-T1024 PolarHBondContact O-N 2.64Å; E1022-N1025 PolarHBondContact O-N 2.72Å; E1022-L1026 PolarHBondContact O-N 3.26Å; E1022-L1026 VanDerWaalsContact O-N 3.09Å; E1022-L1056 HydrophobicContact CB-CD2 4.19Å
1023	K	76.8	Confident	76.8	Confident	79 Å²	79	82.3 Å²	82.3	34%	0.343	41%	0.408	S	S	.	.	H	α-helix	trans	-55.6	-52.6	174.1	177.6	175.6	171	178.7	0	112.1	H1019 N1025 L1026 E1027 I1053	H1019-K1023 WeakPolarHBondContact O-CB 3.37Å; H1019-K1023 PolarHBondContact O-N 3.18Å; K1023-N1025 PolarHBondContact O-N 2.83Å; K1023-L1026 WeakPolarHBondContact O-CB 3.4Å; K1023-L1026 PolarHBondContact O-N 3.33Å; K1023-L1026 VanDerWaalsContact O-N 3.13Å; K1023-E1027 WeakPolarHBondContact CE-OE1 3.47Å; K1023-E1027 WeakPolarHBondContact O-CG 3.35Å; K1023-E1027 PolarHBondContact O-N 2.9Å; K1023-E1027 VanDerWaalsContact O-N 3.11Å; K1023-I1053 HydrophobicContact CD-CG2 4.18Å; K1023-I1053 HydrophobicContact CG-CG2 4.15Å
1024	T	79.1	Confident	76.3	Confident	50 Å²	50	78.7 Å²	78.7	31%	0.307	39%	0.389	S	S	.	.	H	α-helix	trans	-69.6	-18.9	-178.5	57.2	0	0	0	0	113.6	E1020 K1021 E1022 E1027 K1028	E1020-T1024 WeakPolarHBondContact O-CB 3.44Å; E1020-T1024 WeakPolarHBondContact O-CG2 3.39Å; E1020-T1024 PolarHBondContact O-N 2.69Å; E1020-T1024 PolarHBondContact O-OG1 2.77Å; K1021-T1024 PolarHBondContact O-OG1 2.84Å; E1022-T1024 PolarHBondContact O-N 2.64Å; T1024-E1027 WeakPolarHBondContact CA-OE2 3.35Å; T1024-K1028 WeakPolarHBondContact O-CB 3.32Å; T1024-K1028 VanDerWaalsContact O-CD 3.24Å; T1024-K1028 WeakPolarHBondContact O-CD 3.36Å; T1024-K1028 WeakPolarHBondContact O-CG 3.15Å; T1024-K1028 PolarHBondContact O-N 3.26Å
1025	N	82	Confident	75.6	Confident	91 Å²	91	79.9 Å²	79.9	49%	0.487	39%	0.394	S	S	.	.	H	α-helix	trans	-74.6	-40.4	169.5	-79.5	-24.8	0	0	0	112.1	K1021 E1022 K1023 K1028 L1029	K1021-N1025 WeakPolarHBondContact O-CB 3.42Å; K1021-N1025 PolarHBondContact O-N 2.86Å; K1021-N1025 PolarHBondContact O-ND2 2.87Å; E1022-N1025 PolarHBondContact O-N 2.72Å; K1023-N1025 PolarHBondContact O-N 2.83Å; N1025-K1028 PolarHBondContact O-N 3.36Å; N1025-L1029 WeakPolarHBondContact O-CG 3.27Å; N1025-L1029 PolarHBondContact O-N 2.81Å
1026	L	75.3	Confident	75.2	Confident	48 Å²	48	87.2 Å²	87.2	25%	0.251	42%	0.424	S	S	.	.	H	α-helix	trans	-60.5	-45	173.2	-68.9	173.9	0	0	0	111.4	E1022 K1023 K1028 L1029 L1030 I1053 L1056	E1022-L1026 PolarHBondContact O-N 3.26Å; E1022-L1026 VanDerWaalsContact O-N 3.09Å; K1023-L1026 WeakPolarHBondContact O-CB 3.4Å; K1023-L1026 PolarHBondContact O-N 3.33Å; K1023-L1026 VanDerWaalsContact O-N 3.13Å; L1026-K1028 PolarHBondContact O-N 3.03Å; L1026-L1029 PolarHBondContact O-N 3.25Å; L1026-L1030 PolarHBondContact O-N 2.89Å; L1026-I1053 HydrophobicContact CB-CD1 4.3Å; L1026-I1053 HydrophobicContact CB-CG1 4.13Å; L1026-I1053 HydrophobicContact CD1-CG1 3.95Å; L1026-L1056 HydrophobicContact CD1-CD2 4.27Å
1027	E	76.9	Confident	74.5	Confident	80 Å²	80	91.7 Å²	91.7	37%	0.374	43%	0.433	S	S	.	.	H	α-helix	trans	-59.2	-45.1	176.4	-67.3	166.8	171.6	0	0	112	K1023 T1024 L1029 L1030 E1031 I1053	K1023-E1027 WeakPolarHBondContact CE-OE1 3.47Å; K1023-E1027 WeakPolarHBondContact O-CG 3.35Å; K1023-E1027 PolarHBondContact O-N 2.9Å; K1023-E1027 VanDerWaalsContact O-N 3.11Å; T1024-E1027 WeakPolarHBondContact CA-OE2 3.35Å; E1027-L1029 VanDerWaalsContact C-N 3.34Å; E1027-L1029 PolarHBondContact O-N 3.12Å; E1027-L1030 PolarHBondContact O-N 3.05Å; E1027-E1031 PolarHBondContact O-N 2.83Å; E1027-I1053 HydrophobicContact CG-CD1 3.75Å
1028	K	79.6	Confident	73.6	Confident	104 Å²	104	91.7 Å²	91.7	45%	0.452	44%	0.44	S	S	.	.	H	α-helix	trans	-68.3	-28.9	176.7	-72.1	164.5	-168.1	157.5	0	113.5	T1024 N1025 L1026 K1032	T1024-K1028 WeakPolarHBondContact O-CB 3.32Å; T1024-K1028 VanDerWaalsContact O-CD 3.24Å; T1024-K1028 WeakPolarHBondContact O-CD 3.36Å; T1024-K1028 WeakPolarHBondContact O-CG 3.15Å; T1024-K1028 PolarHBondContact O-N 3.26Å; N1025-K1028 PolarHBondContact O-N 3.36Å; L1026-K1028 PolarHBondContact O-N 3.03Å; K1028-K1032 VanDerWaalsContact O-CG 3.31Å; K1028-K1032 WeakPolarHBondContact O-CG 3.48Å; K1028-K1032 PolarHBondContact O-N 2.81Å
1029	L	76.9	Confident	72.7	Confident	111 Å²	111	94.3 Å²	94.3	58%	0.581	45%	0.449	S	S	*	.	H	α-helix	trans	-70.5	-42.1	173.9	-76.8	166.1	0	0	0	111	N1025 L1026 E1027 K1032 A1033	N1025-L1029 WeakPolarHBondContact O-CG 3.27Å; N1025-L1029 PolarHBondContact O-N 2.81Å; L1026-L1029 PolarHBondContact O-N 3.25Å; E1027-L1029 VanDerWaalsContact C-N 3.34Å; E1027-L1029 PolarHBondContact O-N 3.12Å; L1029-K1032 PolarHBondContact O-N 3.39Å; L1029-A1033 WeakPolarHBondContact O-CB 3.21Å; L1029-A1033 PolarHBondContact O-N 3.49Å
1030	L	72.5	Confident	71.7	Confident	32 Å²	32	100.6 Å²	100.6	17%	0.168	48%	0.484	C	S	.	.	H	α-helix	trans	-60.6	-46.7	172.1	172.1	64	0	0	0	111.9	L1026 E1027 K1032 A1033 I1034 L1045 K1046 T1049	L1026-L1030 PolarHBondContact O-N 2.89Å; E1027-L1030 PolarHBondContact O-N 3.05Å; L1030-K1032 VanDerWaalsContact C-N 3.31Å; L1030-K1032 PolarHBondContact O-N 3.04Å; L1030-A1033 WeakPolarHBondContact O-CB 3.29Å; L1030-A1033 PolarHBondContact O-N 3.21Å; L1030-I1034 HydrophobicContact CD1-CD1 3.75Å; L1030-I1034 HydrophobicContact CD1-CG1 3.94Å; L1030-I1034 HydrophobicContact CD2-CD1 4.43Å; L1030-I1034 HydrophobicContact CG-CD1 3.76Å; L1030-I1034 HydrophobicContact CG-CG1 4.38Å; L1030-I1034 WeakPolarHBondContact O-CG1 3.02Å; L1030-I1034 PolarHBondContact O-N 2.89Å; L1030-L1045 HydrophobicContact CD1-CB 4.45Å; L1030-K1046 HydrophobicContact CD1-CG 4.25Å; L1030-K1046 HydrophobicContact CD2-CG 4.35Å; L1030-T1049 HydrophobicContact CB-CG2 3.91Å; L1030-T1049 HydrophobicContact CD2-CG2 4.03Å; L1030-T1049 HydrophobicContact CG-CG2 4.47Å
1031	E	71.9	Confident	70.7	Confident	99 Å²	99	101.9 Å²	101.9	46%	0.463	49%	0.494	S	S	.	.	H	α-helix	trans	-58.8	-42.8	179.6	-160	-150.2	140.6	0	0	111.8	E1027 A1033 K1035	E1027-E1031 PolarHBondContact O-N 2.83Å; E1031-A1033 VanDerWaalsContact C-N 3.35Å; E1031-K1035 PolarHBondContact O-N 3.36Å; E1031-K1035 VanDerWaalsContact O-N 3.12Å; E1031-K1035 WeakPolarHBondContact OE1-CE 3.33Å; E1031-K1035 IonicContact OE1-NZ 2.64Å; E1031-K1035 PolarHBondContact OE1-NZ 2.71Å
1032	K	75.2	Confident	69.6	Low	144 Å²	144	96.8 Å²	96.8	63%	0.626	47%	0.473	S	S	*	.	H	α-helix	trans	-65.2	-34.5	173.7	-73.5	172.6	-179.6	177.2	0	112.9	K1028 L1029 L1030 K1036	K1028-K1032 VanDerWaalsContact O-CG 3.31Å; K1028-K1032 WeakPolarHBondContact O-CG 3.48Å; K1028-K1032 PolarHBondContact O-N 2.81Å; L1029-K1032 PolarHBondContact O-N 3.39Å; L1030-K1032 VanDerWaalsContact C-N 3.31Å; L1030-K1032 PolarHBondContact O-N 3.04Å; K1032-K1036 PolarHBondContact O-N 3.16Å
1033	A	67.7	Low	68.9	Low	29 Å²	29	99.6 Å²	99.6	24%	0.24	49%	0.486	C	S	.	.	H	α-helix	trans	-71.1	-42	177.6	0	0	0	0	0	112.1	L1029 L1030 E1031 K1036 R1037	L1029-A1033 WeakPolarHBondContact O-CB 3.21Å; L1029-A1033 PolarHBondContact O-N 3.49Å; L1030-A1033 WeakPolarHBondContact O-CB 3.29Å; L1030-A1033 PolarHBondContact O-N 3.21Å; E1031-A1033 VanDerWaalsContact C-N 3.35Å; A1033-K1036 PolarHBondContact O-N 3.09Å; A1033-R1037 PolarHBondContact O-N 2.83Å
1034	I	68.4	Low	68.4	Low	28 Å²	28	103.9 Å²	103.9	14%	0.144	51%	0.507	C	S	.	.	H	α-helix	trans	-61.6	-49.1	176.2	-66.3	164	0	0	0	110.2	L1030 K1036 R1037 G1038 E1039 C1042 K1046	L1030-I1034 HydrophobicContact CD1-CD1 3.75Å; L1030-I1034 HydrophobicContact CD1-CG1 3.94Å; L1030-I1034 HydrophobicContact CD2-CD1 4.43Å; L1030-I1034 HydrophobicContact CG-CD1 3.76Å; L1030-I1034 HydrophobicContact CG-CG1 4.38Å; L1030-I1034 WeakPolarHBondContact O-CG1 3.02Å; L1030-I1034 PolarHBondContact O-N 2.89Å; I1034-K1036 PolarHBondContact O-N 2.82Å; I1034-R1037 PolarHBondContact O-N 3.3Å; I1034-G1038 PolarHBondContact O-N 2.83Å; I1034-E1039 HydrophobicContact CG2-CG 4.48Å; I1034-C1042 HydrophobicContact CG1-CB 4.18Å; I1034-K1046 HydrophobicContact CD1-CD 4.47Å; I1034-K1046 HydrophobicContact CD1-CG 4.08Å
1035	K	67.8	Low	67.8	Low	161 Å²	161	103 Å²	103	70%	0.7	50%	0.501	S	S	*	.	H	α-helix	trans	-58.3	-17.5	177.5	-83.1	173.4	171.7	166.7	0	114.5	E1031	E1031-K1035 PolarHBondContact O-N 3.36Å; E1031-K1035 VanDerWaalsContact O-N 3.12Å; E1031-K1035 WeakPolarHBondContact OE1-CE 3.33Å; E1031-K1035 IonicContact OE1-NZ 2.64Å; E1031-K1035 PolarHBondContact OE1-NZ 2.71Å
1036	K	65.4	Low	67.2	Low	195 Å²	195	104 Å²	104	85%	0.848	50%	0.5	S	S	*	.	H	α-helix	trans	-94.8	-18.2	175.3	-85.1	-169.9	171.3	-171.9	0	115.3	K1032 A1033 I1034	K1032-K1036 PolarHBondContact O-N 3.16Å; A1033-K1036 PolarHBondContact O-N 3.09Å; I1034-K1036 PolarHBondContact O-N 2.82Å
1037	R	62.3	Low	67.2	Low	162 Å²	162	107.9 Å²	107.9	61%	0.611	52%	0.515	S	S	*	.	H	α-helix	trans	-115.8	-11.2	-169.6	-119.9	-175.7	-72.4	-153.1	3	115.7	A1033 I1034 L1045	A1033-R1037 PolarHBondContact O-N 2.83Å; I1034-R1037 PolarHBondContact O-N 3.3Å; R1037-L1045 VanDerWaalsContact CZ-CD1 3.44Å
1038	G	58.3	Low	67.1	Low	40 Å²	40	108.4 Å²	108.4	41%	0.412	52%	0.518	S	S	.	.			trans	81	142.4	-176	0	0	0	0	0	112	I1034 N1040 C1042	I1034-G1038 PolarHBondContact O-N 2.83Å; G1038-N1040 VanDerWaalsContact C-N 3.34Å; G1038-N1040 PolarHBondContact O-N 2.77Å; G1038-C1042 PolarHBondContact O-SG 3.1Å
1039	E	58.2	Low	66.7	Low	160 Å²	160	104.2 Å²	104.2	75%	0.748	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-68.4	-33.2	-163	-57.8	-170.5	120.4	0	0	113.4	I1034 N1041 C1042	I1034-E1039 HydrophobicContact CG2-CG 4.48Å; E1039-N1041 PolarHBondContact O-N 3.08Å; E1039-N1041 VanDerWaalsContact O-N 3.08Å; E1039-C1042 PolarHBondContact O-N 3.47Å
1040	N	55.4	Low	66.6	Low	165 Å²	165	105.5 Å²	105.5	88%	0.882	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-69.4	-6.4	-172.1	-64.7	-8.5	0	0	0	115.1	G1038	G1038-N1040 VanDerWaalsContact C-N 3.34Å; G1038-N1040 PolarHBondContact O-N 2.77Å
1041	N	56.5	Low	66.8	Low	143 Å²	143	107.9 Å²	107.9	77%	0.765	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-130.3	22.4	-179.8	-118	7	0	0	0	113.2	E1039	E1039-N1041 PolarHBondContact O-N 3.08Å; E1039-N1041 VanDerWaalsContact O-N 3.08Å
1042	C	58.1	Low	67.1	Low	2 Å²	2	107.9 Å²	107.9	1%	0.014	52%	0.515	C	S	.	.			trans	-108.1	11	-174.7	-74.9	0	0	0	0	115.7	I1034 G1038 E1039 L1045 K1046	I1034-C1042 HydrophobicContact CG1-CB 4.18Å; G1038-C1042 PolarHBondContact O-SG 3.1Å; E1039-C1042 PolarHBondContact O-N 3.47Å; C1042-L1045 PolarHBondContact O-N 3.44Å; C1042-K1046 WeakPolarHBondContact O-CG 3.2Å; C1042-K1046 PolarHBondContact O-N 3.26Å; C1042-K1046 VanDerWaalsContact O-N 3.14Å
1043	Q	63.5	Low	67.2	Low	168 Å²	168	102.2 Å²	102.2	79%	0.785	49%	0.491	S	S	*	.	H	α-helix	trans	-64.2	-44.5	-177.8	-73.3	-173.6	-12.2	0	0	113	L1045 K1046 K1047	Q1043-L1045 PolarHBondContact O-N 3.47Å; Q1043-K1046 PolarHBondContact O-N 3.17Å; Q1043-K1047 PolarHBondContact O-N 3.08Å; Q1043-K1047 VanDerWaalsContact O-N 3.1Å
1044	E	65.8	Low	67.5	Low	170 Å²	170	106.8 Å²	106.8	79%	0.794	51%	0.508	S	S	*	.	H	α-helix	trans	-61.8	-42.1	177.9	-64.4	-176	135.4	0	0	112.1	K1046 K1047 E1048	E1044-K1046 PolarHBondContact O-N 3.36Å; E1044-K1047 PolarHBondContact O-N 3.37Å; E1044-E1048 WeakPolarHBondContact O-CB 3.44Å; E1044-E1048 PolarHBondContact O-N 3.14Å
1045	L	67	Low	67.9	Low	32 Å²	32	109.4 Å²	109.4	17%	0.168	53%	0.525	C	S	.	.	H	α-helix	trans	-66.4	-34.7	179.1	-74.6	153.3	0	0	0	113.3	L1030 R1037 C1042 Q1043 T1049	L1030-L1045 HydrophobicContact CD1-CB 4.45Å; R1037-L1045 VanDerWaalsContact CZ-CD1 3.44Å; C1042-L1045 PolarHBondContact O-N 3.44Å; Q1043-L1045 PolarHBondContact O-N 3.47Å; L1045-T1049 PolarHBondContact O-N 3.17Å; L1045-T1049 PolarHBondContact O-OG1 3.4Å
1046	K	69.3	Low	68.2	Low	110 Å²	110	103.8 Å²	103.8	48%	0.478	50%	0.503	S	S	.	.	H	α-helix	trans	-63.1	-51.6	171.4	-74.7	-177.7	177	-176.5	0	109.8	L1030 I1034 C1042 Q1043 E1044 E1048 T1049 E1050	L1030-K1046 HydrophobicContact CD1-CG 4.25Å; L1030-K1046 HydrophobicContact CD2-CG 4.35Å; I1034-K1046 HydrophobicContact CD1-CD 4.47Å; I1034-K1046 HydrophobicContact CD1-CG 4.08Å; C1042-K1046 WeakPolarHBondContact O-CG 3.2Å; C1042-K1046 PolarHBondContact O-N 3.26Å; C1042-K1046 VanDerWaalsContact O-N 3.14Å; Q1043-K1046 PolarHBondContact O-N 3.17Å; E1044-K1046 PolarHBondContact O-N 3.36Å; K1046-E1048 PolarHBondContact O-N 3.25Å; K1046-T1049 PolarHBondContact O-N 3.17Å; K1046-E1050 WeakPolarHBondContact O-CB 3.45Å; K1046-E1050 PolarHBondContact O-N 3.45Å
1047	K	74.8	Confident	68.4	Low	130 Å²	130	96.6 Å²	96.6	57%	0.565	48%	0.475	S	S	*	.	H	α-helix	trans	-60.3	-45.8	179.1	-166.8	-173.1	174.4	-171.8	0	112.4	Q1043 E1044 T1049 E1050 D1051	Q1043-K1047 PolarHBondContact O-N 3.08Å; Q1043-K1047 VanDerWaalsContact O-N 3.1Å; E1044-K1047 PolarHBondContact O-N 3.37Å; K1047-T1049 PolarHBondContact O-N 3.31Å; K1047-E1050 WeakPolarHBondContact O-CB 3.5Å; K1047-E1050 PolarHBondContact O-N 2.89Å; K1047-E1050 VanDerWaalsContact O-N 3.12Å; K1047-D1051 WeakPolarHBondContact O-CB 3.36Å; K1047-D1051 VanDerWaalsContact O-CG 3.32Å; K1047-D1051 PolarHBondContact O-N 3.16Å
1048	E	74.1	Confident	68.7	Low	92 Å²	92	92.8 Å²	92.8	43%	0.43	47%	0.47	S	S	.	.	H	α-helix	trans	-60	-32.3	177.7	-164.9	-157	167.3	0	0	112.4	E1044 K1046 K1052	E1044-E1048 WeakPolarHBondContact O-CB 3.44Å; E1044-E1048 PolarHBondContact O-N 3.14Å; K1046-E1048 PolarHBondContact O-N 3.25Å; E1048-K1052 VanDerWaalsContact CD-NZ 3.27Å; E1048-K1052 WeakPolarHBondContact O-CB 3.46Å; E1048-K1052 VanDerWaalsContact O-CD 3.32Å; E1048-K1052 WeakPolarHBondContact O-CD 3.38Å; E1048-K1052 WeakPolarHBondContact O-CG 3.31Å; E1048-K1052 PolarHBondContact O-N 3.1Å; E1048-K1052 WeakPolarHBondContact OE1-CE 3.39Å; E1048-K1052 IonicContact OE1-NZ 3.99Å; E1048-K1052 PolarHBondContact OE1-NZ 2.87Å; E1048-K1052 IonicContact OE2-NZ 3.79Å
1049	T	71.1	Confident	69	Low	16 Å²	16	93.8 Å²	93.8	10%	0.098	47%	0.466	C	S	.	.	H	α-helix	trans	-80.1	-38.1	175.5	-50.8	0	0	0	0	111.5	L1030 L1045 K1046 K1047 K1052 I1053	L1030-T1049 HydrophobicContact CB-CG2 3.91Å; L1030-T1049 HydrophobicContact CD2-CG2 4.03Å; L1030-T1049 HydrophobicContact CG-CG2 4.47Å; L1045-T1049 PolarHBondContact O-N 3.17Å; L1045-T1049 PolarHBondContact O-OG1 3.4Å; K1046-T1049 PolarHBondContact O-N 3.17Å; K1047-T1049 PolarHBondContact O-N 3.31Å; T1049-K1052 PolarHBondContact O-N 3.05Å; T1049-I1053 HydrophobicContact CG2-CD1 4.08Å; T1049-I1053 WeakPolarHBondContact O-CG1 3.21Å; T1049-I1053 PolarHBondContact O-N 3.46Å
1050	E	75.2	Confident	69.5	Low	137 Å²	137	88.3 Å²	88.3	64%	0.64	44%	0.44	S	S	*	.	H	α-helix	trans	-61.9	-47.1	174.5	-169.9	165.3	-154.9	0	0	110.7	K1046 K1047 K1052 I1053 Q1054	K1046-E1050 WeakPolarHBondContact O-CB 3.45Å; K1046-E1050 PolarHBondContact O-N 3.45Å; K1047-E1050 WeakPolarHBondContact O-CB 3.5Å; K1047-E1050 PolarHBondContact O-N 2.89Å; K1047-E1050 VanDerWaalsContact O-N 3.12Å; E1050-K1052 VanDerWaalsContact C-N 3.29Å; E1050-K1052 PolarHBondContact O-N 2.83Å; E1050-I1053 PolarHBondContact O-N 2.75Å; E1050-Q1054 VanDerWaalsContact O-CB 3.27Å; E1050-Q1054 WeakPolarHBondContact O-CB 3.4Å; E1050-Q1054 PolarHBondContact O-N 2.79Å
1051	D	77.9	Confident	69.7	Low	83 Å²	83	89 Å²	89	44%	0.444	44%	0.436	S	S	.	.	H	α-helix	trans	-58	-37.9	171.6	-71	-31.2	0	0	0	111.5	K1047 T1055	K1047-D1051 WeakPolarHBondContact O-CB 3.36Å; K1047-D1051 VanDerWaalsContact O-CG 3.32Å; K1047-D1051 PolarHBondContact O-N 3.16Å; D1051-T1055 VanDerWaalsContact O-CB 3.27Å; D1051-T1055 WeakPolarHBondContact O-CB 3.26Å; D1051-T1055 PolarHBondContact O-N 3.39Å; D1051-T1055 PolarHBondContact O-OG1 3.37Å
1052	K	77.4	Confident	69.7	Low	99 Å²	99	85.8 Å²	85.8	43%	0.43	43%	0.429	S	S	.	.	H	α-helix	trans	-71	-38.4	174.8	-77.2	167	-168.8	170.4	0	113.7	E1048 T1049 E1050 T1055 L1056	E1048-K1052 VanDerWaalsContact CD-NZ 3.27Å; E1048-K1052 WeakPolarHBondContact O-CB 3.46Å; E1048-K1052 VanDerWaalsContact O-CD 3.32Å; E1048-K1052 WeakPolarHBondContact O-CD 3.38Å; E1048-K1052 WeakPolarHBondContact O-CG 3.31Å; E1048-K1052 PolarHBondContact O-N 3.1Å; E1048-K1052 WeakPolarHBondContact OE1-CE 3.39Å; E1048-K1052 IonicContact OE1-NZ 3.99Å; E1048-K1052 PolarHBondContact OE1-NZ 2.87Å; E1048-K1052 IonicContact OE2-NZ 3.79Å; T1049-K1052 PolarHBondContact O-N 3.05Å; E1050-K1052 VanDerWaalsContact C-N 3.29Å; E1050-K1052 PolarHBondContact O-N 2.83Å; K1052-T1055 PolarHBondContact O-N 3.41Å; K1052-L1056 WeakPolarHBondContact O-CB 3.38Å; K1052-L1056 PolarHBondContact O-N 3.14Å
1053	I	76.6	Confident	69.6	Low	24 Å²	24	91.5 Å²	91.5	12%	0.123	45%	0.453	C	S	.	.	H	α-helix	trans	-70.6	-38.3	175.8	-70.3	167.8	0	0	0	110.3	K1023 L1026 E1027 T1049 E1050 L1056 T1057	K1023-I1053 HydrophobicContact CD-CG2 4.18Å; K1023-I1053 HydrophobicContact CG-CG2 4.15Å; L1026-I1053 HydrophobicContact CB-CD1 4.3Å; L1026-I1053 HydrophobicContact CB-CG1 4.13Å; L1026-I1053 HydrophobicContact CD1-CG1 3.95Å; E1027-I1053 HydrophobicContact CG-CD1 3.75Å; T1049-I1053 HydrophobicContact CG2-CD1 4.08Å; T1049-I1053 WeakPolarHBondContact O-CG1 3.21Å; T1049-I1053 PolarHBondContact O-N 3.46Å; E1050-I1053 PolarHBondContact O-N 2.75Å; I1053-L1056 PolarHBondContact O-N 2.86Å; I1053-T1057 WeakPolarHBondContact O-CB 3.4Å; I1053-T1057 PolarHBondContact O-N 3.21Å; I1053-T1057 PolarHBondContact O-OG1 3.05Å
1054	Q	75.4	Confident	69.3	Low	126 Å²	126	84.6 Å²	84.6	59%	0.589	43%	0.427	S	S	*	.	H	α-helix	trans	-62.8	-43.7	172.3	-167.4	72.3	-8.1	0	0	110.6	E1050 T1057 T1058	E1050-Q1054 VanDerWaalsContact O-CB 3.27Å; E1050-Q1054 WeakPolarHBondContact O-CB 3.4Å; E1050-Q1054 PolarHBondContact O-N 2.79Å; Q1054-T1057 PolarHBondContact O-N 2.96Å; Q1054-T1058 WeakPolarHBondContact O-CB 3.14Å; Q1054-T1058 PolarHBondContact O-N 2.83Å; Q1054-T1058 PolarHBondContact O-OG1 3.11Å
1055	T	75.4	Confident	69.1	Low	83 Å²	83	81 Å²	81	51%	0.509	41%	0.411	S	S	.	.	H	α-helix	trans	-62.6	-49.1	174.2	-58.8	0	0	0	0	111.1	D1051 K1052 T1057 T1058 D1059	D1051-T1055 VanDerWaalsContact O-CB 3.27Å; D1051-T1055 WeakPolarHBondContact O-CB 3.26Å; D1051-T1055 PolarHBondContact O-N 3.39Å; D1051-T1055 PolarHBondContact O-OG1 3.37Å; K1052-T1055 PolarHBondContact O-N 3.41Å; T1055-T1057 VanDerWaalsContact C-N 3.33Å; T1055-T1057 PolarHBondContact O-N 3.35Å; T1055-T1058 CarbonylContact O-C 3.56Å; T1055-T1058 PolarHBondContact O-N 3.14Å; T1055-T1058 VanDerWaalsContact O-N 3.09Å; T1055-D1059 WeakPolarHBondContact O-CB 3.37Å; T1055-D1059 PolarHBondContact O-N 3.28Å
1056	L	73.6	Confident	69.1	Low	42 Å²	42	82.7 Å²	82.7	22%	0.22	42%	0.422	C	S	.	.	H	α-helix	trans	-56.9	-45.3	177.4	-166.9	87	0	0	0	111.9	E1022 L1026 K1052 I1053 T1058 D1059 H1060	E1022-L1056 HydrophobicContact CB-CD2 4.19Å; L1026-L1056 HydrophobicContact CD1-CD2 4.27Å; K1052-L1056 WeakPolarHBondContact O-CB 3.38Å; K1052-L1056 PolarHBondContact O-N 3.14Å; I1053-L1056 PolarHBondContact O-N 2.86Å; L1056-T1058 VanDerWaalsContact C-N 3.3Å; L1056-T1058 PolarHBondContact O-N 3.36Å; L1056-D1059 WeakPolarHBondContact O-CB 3.17Å; L1056-D1059 PolarHBondContact O-N 3.01Å; L1056-H1060 WeakPolarHBondContact O-CB 3.47Å; L1056-H1060 PolarHBondContact O-N 3.02Å
1057	T	70.3	Confident	69	Low	45 Å²	45	85.5 Å²	85.5	28%	0.276	43%	0.434	S	S	.	.	H	α-helix	trans	-66.6	-33.2	178.3	-54.1	0	0	0	0	111.8	I1053 Q1054 T1055 K1061	I1053-T1057 WeakPolarHBondContact O-CB 3.4Å; I1053-T1057 PolarHBondContact O-N 3.21Å; I1053-T1057 PolarHBondContact O-OG1 3.05Å; Q1054-T1057 PolarHBondContact O-N 2.96Å; T1055-T1057 VanDerWaalsContact C-N 3.33Å; T1055-T1057 PolarHBondContact O-N 3.35Å; T1057-K1061 PolarHBondContact O-N 2.92Å
1058	T	68.7	Low	68.9	Low	81 Å²	81	83.7 Å²	83.7	50%	0.497	43%	0.431	S	S	.	.	H	α-helix	trans	-74.5	-41.7	175.7	-55.9	0	0	0	0	110.8	Q1054 T1055 L1056 K1061 A1062	Q1054-T1058 WeakPolarHBondContact O-CB 3.14Å; Q1054-T1058 PolarHBondContact O-N 2.83Å; Q1054-T1058 PolarHBondContact O-OG1 3.11Å; T1055-T1058 CarbonylContact O-C 3.56Å; T1055-T1058 PolarHBondContact O-N 3.14Å; T1055-T1058 VanDerWaalsContact O-N 3.09Å; L1056-T1058 VanDerWaalsContact C-N 3.3Å; L1056-T1058 PolarHBondContact O-N 3.36Å; T1058-K1061 CarbonylContact O-C 3.58Å; T1058-K1061 WeakPolarHBondContact O-CA 3.45Å; T1058-K1061 WeakPolarHBondContact O-CB 3.43Å; T1058-K1061 PolarHBondContact O-N 3.23Å; T1058-K1061 VanDerWaalsContact O-N 3.09Å; T1058-A1062 WeakPolarHBondContact O-CB 3.48Å; T1058-A1062 PolarHBondContact O-N 3.17Å
1059	D	65.8	Low	69.1	Low	61 Å²	61	81.1 Å²	81.1	33%	0.326	42%	0.419	S	S	.	.	H	α-helix	trans	-59.6	-45.3	173.8	-113.5	5.8	0	0	0	111.5	T1055 L1056 K1061 A1062 K1063	T1055-D1059 WeakPolarHBondContact O-CB 3.37Å; T1055-D1059 PolarHBondContact O-N 3.28Å; L1056-D1059 WeakPolarHBondContact O-CB 3.17Å; L1056-D1059 PolarHBondContact O-N 3.01Å; D1059-K1061 PolarHBondContact O-N 3.19Å; D1059-A1062 PolarHBondContact O-N 2.91Å; D1059-A1062 VanDerWaalsContact O-N 3.08Å; D1059-K1063 HydrophobicContact CB-CD 4.13Å; D1059-K1063 VanDerWaalsContact CG-CE 3.41Å; D1059-K1063 VanDerWaalsContact O-CB 3.23Å; D1059-K1063 WeakPolarHBondContact O-CB 3.15Å; D1059-K1063 WeakPolarHBondContact O-CG 3.45Å; D1059-K1063 PolarHBondContact O-N 2.86Å; D1059-K1063 IonicContact OD1-NZ 3.01Å; D1059-K1063 WeakPolarHBondContact OD2-CE 3.3Å; D1059-K1063 IonicContact OD2-NZ 2.8Å; D1059-K1063 PolarHBondContact OD2-NZ 3.13Å
1060	H	67.3	Low	69.4	Low	45 Å²	45	84 Å²	84	21%	0.208	44%	0.437	C	S	.	.	H	α-helix	trans	-63.8	-23	176.3	-170.8	-80.5	0	0	0	112.7	H1019 L1056	H1019-H1060 AromaticContact CD2-CD2 3.47Å; H1019-H1060 PolarHBondContact CD2-CD2 2.65Å; H1019-H1060 VanDerWaalsContact CD2-CD2 3.47Å; H1019-H1060 AromaticContact CD2-CG 3.63Å; H1019-H1060 AromaticContact CG-CD2 3.78Å; H1019-H1060 AromaticContact NE2-CG 3.98Å; L1056-H1060 WeakPolarHBondContact O-CB 3.47Å; L1056-H1060 PolarHBondContact O-N 3.02Å
1061	K	60.6	Low	69.7	Low	181 Å²	181	80.3 Å²	80.3	79%	0.787	43%	0.43	S	S	*	.	H	α-helix	trans	-88.1	-30.2	169.9	-78.1	-176.9	171.7	-177.6	0	113.7	T1057 T1058 D1059	T1057-K1061 PolarHBondContact O-N 2.92Å; T1058-K1061 CarbonylContact O-C 3.58Å; T1058-K1061 WeakPolarHBondContact O-CA 3.45Å; T1058-K1061 WeakPolarHBondContact O-CB 3.43Å; T1058-K1061 PolarHBondContact O-N 3.23Å; T1058-K1061 VanDerWaalsContact O-N 3.09Å; D1059-K1061 PolarHBondContact O-N 3.19Å
1062	A	55.3	Low	69.9	Low	75 Å²	75	80.5 Å²	80.5	62%	0.62	43%	0.428	S	S	*	.	H	α-helix	trans	-92.9	-30.1	-171.2	0	0	0	0	0	113.9	T1058 D1059 G1064	T1058-A1062 WeakPolarHBondContact O-CB 3.48Å; T1058-A1062 PolarHBondContact O-N 3.17Å; D1059-A1062 PolarHBondContact O-N 2.91Å; D1059-A1062 VanDerWaalsContact O-N 3.08Å; A1062-G1064 PolarHBondContact O-N 2.94Å
1063	K	57.2	Low	70.4	Confident	121 Å²	121	76.8 Å²	76.8	53%	0.526	41%	0.412	S	S	.	.	S	Bend	trans	-71.9	14.9	-176	-77.1	174.9	165.4	164.4	0	115.4	D1059 Q1065	D1059-K1063 HydrophobicContact CB-CD 4.13Å; D1059-K1063 VanDerWaalsContact CG-CE 3.41Å; D1059-K1063 VanDerWaalsContact O-CB 3.23Å; D1059-K1063 WeakPolarHBondContact O-CB 3.15Å; D1059-K1063 WeakPolarHBondContact O-CG 3.45Å; D1059-K1063 PolarHBondContact O-N 2.86Å; D1059-K1063 IonicContact OD1-NZ 3.01Å; D1059-K1063 WeakPolarHBondContact OD2-CE 3.3Å; D1059-K1063 IonicContact OD2-NZ 2.8Å; D1059-K1063 PolarHBondContact OD2-NZ 3.13Å; K1063-Q1065 HydrophobicContact CB-CG 4.47Å; K1063-Q1065 PolarHBondContact O-N 2.99Å
1064	G	56.4	Low	70.8	Confident	23 Å²	23	79.6 Å²	79.6	24%	0.237	43%	0.43	C	S	.	.	S	Bend	trans	72.9	-38.2	179.2	0	0	0	0	0	115.2	A1062 V1066 K1067 D1068	A1062-G1064 PolarHBondContact O-N 2.94Å; G1064-V1066 VanDerWaalsContact C-N 3.34Å; G1064-V1066 CarbonylContact O-C 3.45Å; G1064-V1066 PolarHBondContact O-N 3.3Å; G1064-K1067 WeakPolarHBondContact O-CA 3.46Å; G1064-K1067 VanDerWaalsContact O-CB 3.29Å; G1064-K1067 WeakPolarHBondContact O-CB 3.34Å; G1064-K1067 PolarHBondContact O-N 3.21Å; G1064-D1068 VanDerWaalsContact CA-OD2 3.25Å; G1064-D1068 WeakPolarHBondContact CA-OD2 3.42Å; G1064-D1068 PolarHBondContact O-N 3.5Å
1065	Q	62.3	Low	71.4	Confident	96 Å²	96	78.7 Å²	78.7	45%	0.449	43%	0.425	S	S	.	.	H	α-helix	trans	-36.5	-48	-165.1	-67.1	-178.6	-21.6	0	0	117	K1063 D1068 I1069	K1063-Q1065 HydrophobicContact CB-CG 4.47Å; K1063-Q1065 PolarHBondContact O-N 2.99Å; Q1065-D1068 PolarHBondContact N-OD2 2.95Å; Q1065-I1069 VanDerWaalsContact O-CB 3.32Å; Q1065-I1069 WeakPolarHBondContact O-CB 3.35Å; Q1065-I1069 WeakPolarHBondContact O-CD1 3.46Å; Q1065-I1069 WeakPolarHBondContact O-CG1 3.47Å; Q1065-I1069 PolarHBondContact O-N 2.96Å
1066	V	65.7	Low	71.9	Confident	66 Å²	66	77.4 Å²	77.4	40%	0.4	41%	0.413	S	S	.	.	H	α-helix	trans	-66.5	-45.2	177.5	-179.6	0	0	0	0	111.7	L1015 G1064 I1069 T1070	L1015-V1066 HydrophobicContact CD2-CG2 3.86Å; G1064-V1066 VanDerWaalsContact C-N 3.34Å; G1064-V1066 CarbonylContact O-C 3.45Å; G1064-V1066 PolarHBondContact O-N 3.3Å; V1066-I1069 PolarHBondContact O-N 3.02Å; V1066-T1070 PolarHBondContact O-N 3.45Å; V1066-T1070 PolarHBondContact O-OG1 2.9Å
1067	K	67	Low	72.6	Confident	169 Å²	169	79.7 Å²	79.7	74%	0.735	42%	0.419	S	S	*	.	H	α-helix	trans	-65.2	-39.4	176.6	-174.7	-177.3	177.8	-174.5	0	111.3	G1064 T1070 A1071	G1064-K1067 WeakPolarHBondContact O-CA 3.46Å; G1064-K1067 VanDerWaalsContact O-CB 3.29Å; G1064-K1067 WeakPolarHBondContact O-CB 3.34Å; G1064-K1067 PolarHBondContact O-N 3.21Å; K1067-T1070 PolarHBondContact O-N 3.48Å; K1067-A1071 WeakPolarHBondContact O-CB 3.24Å; K1067-A1071 PolarHBondContact O-N 2.95Å
1068	D	74.1	Confident	73.4	Confident	93 Å²	93	80.9 Å²	80.9	50%	0.497	43%	0.429	S	S	.	.	H	α-helix	trans	-69.1	-41.1	178.8	-55	-32.8	0	0	0	111.1	G1064 Q1065 A1071 Q1072	G1064-D1068 VanDerWaalsContact CA-OD2 3.25Å; G1064-D1068 WeakPolarHBondContact CA-OD2 3.42Å; G1064-D1068 PolarHBondContact O-N 3.5Å; Q1065-D1068 PolarHBondContact N-OD2 2.95Å; D1068-A1071 PolarHBondContact O-N 2.98Å; D1068-Q1072 WeakPolarHBondContact O-CB 3.42Å; D1068-Q1072 PolarHBondContact O-N 3.17Å
1069	I	77.7	Confident	74.3	Confident	37 Å²	37	82 Å²	82	19%	0.19	43%	0.428	C	S	.	.	H	α-helix	trans	-63.9	-43.2	171.8	-72	167.9	0	0	0	110.9	L1015 Q1065 V1066 A1071 Q1072 H1073	L1015-I1069 HydrophobicContact CD1-CD1 4.14Å; L1015-I1069 HydrophobicContact CD2-CD1 4.33Å; Q1065-I1069 VanDerWaalsContact O-CB 3.32Å; Q1065-I1069 WeakPolarHBondContact O-CB 3.35Å; Q1065-I1069 WeakPolarHBondContact O-CD1 3.46Å; Q1065-I1069 WeakPolarHBondContact O-CG1 3.47Å; Q1065-I1069 PolarHBondContact O-N 2.96Å; V1066-I1069 PolarHBondContact O-N 3.02Å; I1069-A1071 VanDerWaalsContact C-N 3.35Å; I1069-A1071 PolarHBondContact O-N 2.96Å; I1069-Q1072 PolarHBondContact O-N 3.11Å; I1069-H1073 VanDerWaalsContact CG2-CE1 3.4Å; I1069-H1073 WeakPolarHBondContact CG2-CE1 3.32Å; I1069-H1073 WeakPolarHBondContact O-CB 3.37Å; I1069-H1073 VanDerWaalsContact O-CG 3.26Å; I1069-H1073 PolarHBondContact O-N 3.12Å
1070	T	77.6	Confident	75.5	Confident	78 Å²	78	80.6 Å²	80.6	48%	0.479	42%	0.421	S	S	.	.	H	α-helix	trans	-62.9	-39.8	175.2	-58.6	0	0	0	0	112	V1066 K1067 T1074	V1066-T1070 PolarHBondContact O-N 3.45Å; V1066-T1070 PolarHBondContact O-OG1 2.9Å; K1067-T1070 PolarHBondContact O-N 3.48Å; T1070-T1074 WeakPolarHBondContact O-CB 3.39Å; T1070-T1074 PolarHBondContact O-N 2.87Å; T1070-T1074 PolarHBondContact O-OG1 3.5Å
1071	A	80.8	Confident	76.5	Confident	59 Å²	59	81.7 Å²	81.7	49%	0.488	43%	0.428	S	S	.	.	H	α-helix	trans	-64.9	-42.6	175.1	0	0	0	0	0	111.7	K1067 D1068 I1069 T1074 K1075	K1067-A1071 WeakPolarHBondContact O-CB 3.24Å; K1067-A1071 PolarHBondContact O-N 2.95Å; D1068-A1071 PolarHBondContact O-N 2.98Å; I1069-A1071 VanDerWaalsContact C-N 3.35Å; I1069-A1071 PolarHBondContact O-N 2.96Å; A1071-T1074 PolarHBondContact O-N 2.95Å; A1071-K1075 WeakPolarHBondContact O-CB 2.98Å; A1071-K1075 PolarHBondContact O-N 2.9Å
1072	Q	82.6	Confident	77.7	Confident	86 Å²	86	77 Å²	77	40%	0.402	42%	0.417	S	S	.	.	H	α-helix	trans	-64.1	-45.9	175.8	-179.3	61.1	20.9	0	0	112	D1068 I1069 T1074 K1075 E1076	D1068-Q1072 WeakPolarHBondContact O-CB 3.42Å; D1068-Q1072 PolarHBondContact O-N 3.17Å; I1069-Q1072 PolarHBondContact O-N 3.11Å; Q1072-T1074 VanDerWaalsContact C-N 3.33Å; Q1072-T1074 PolarHBondContact O-N 2.97Å; Q1072-K1075 WeakPolarHBondContact O-CB 3.14Å; Q1072-K1075 PolarHBondContact O-N 3.14Å; Q1072-E1076 HydrophobicContact CG-CG 4.49Å; Q1072-E1076 WeakPolarHBondContact CG-OE1 3.07Å; Q1072-E1076 PolarHBondContact NE2-OE1 3.47Å; Q1072-E1076 WeakPolarHBondContact O-CB 3.23Å; Q1072-E1076 WeakPolarHBondContact O-CG 3.32Å; Q1072-E1076 PolarHBondContact O-N 3.29Å
1073	H	88.1	Confident	79.3	Confident	21 Å²	21	76.1 Å²	76.1	10%	0.097	41%	0.407	C	S	.	.	H	α-helix	trans	-61.5	-40.6	174.9	-69.6	175.5	0	0	0	112	H1008 Q1011 I1069 E1076 W1077	H1008-H1073 AromaticContact CD2-CD2 3.17Å; H1008-H1073 PolarHBondContact CD2-CD2 3.33Å; H1008-H1073 AromaticContact CD2-CE1 3.88Å; H1008-H1073 AromaticContact CD2-CG 3.58Å; H1008-H1073 AromaticContact CD2-NE2 3.38Å; H1008-H1073 PolarHBondContact CD2-NE2 2.95Å; H1008-H1073 AromaticContact CE1-CD2 4Å; H1008-H1073 AromaticContact CE1-CG 3.93Å; H1008-H1073 PolarHBondContact CE1-O 2.86Å; H1008-H1073 AromaticContact CG-CD2 3.71Å; H1008-H1073 AromaticContact CG-CE1 3.92Å; H1008-H1073 AromaticContact CG-CG 3.62Å; H1008-H1073 AromaticContact CG-ND1 3.78Å; H1008-H1073 AromaticContact CG-NE2 3.88Å; H1008-H1073 AromaticContact ND1-CG 3.88Å; H1008-H1073 AromaticContact NE2-CD2 3.39Å; H1008-H1073 PolarHBondContact NE2-CD2 3.09Å; H1008-H1073 AromaticContact NE2-CG 3.77Å; Q1011-H1073 PolarHBondContact OE1-NE2 3.2Å; I1069-H1073 VanDerWaalsContact CG2-CE1 3.4Å; I1069-H1073 WeakPolarHBondContact CG2-CE1 3.32Å; I1069-H1073 WeakPolarHBondContact O-CB 3.37Å; I1069-H1073 VanDerWaalsContact O-CG 3.26Å; I1069-H1073 PolarHBondContact O-N 3.12Å; H1073-E1076 IonicContact CD2-OE2 2.79Å; H1073-W1077 VanDerWaalsContact O-CB 3.3Å; H1073-W1077 WeakPolarHBondContact O-CB 3.44Å; H1073-W1077 PolarHBondContact O-N 3.47Å
1074	T	85.2	Confident	80.9	Confident	83 Å²	83	70.9 Å²	70.9	51%	0.509	38%	0.384	S	S	.	.	H	α-helix	trans	-64.2	-40.3	175.6	-56.2	0	0	0	0	111.7	T1070 A1071 Q1072 S1078	T1070-T1074 WeakPolarHBondContact O-CB 3.39Å; T1070-T1074 PolarHBondContact O-N 2.87Å; T1070-T1074 PolarHBondContact O-OG1 3.5Å; A1071-T1074 PolarHBondContact O-N 2.95Å; Q1072-T1074 VanDerWaalsContact C-N 3.33Å; Q1072-T1074 PolarHBondContact O-N 2.97Å; T1074-S1078 WeakPolarHBondContact O-CB 3.41Å; T1074-S1078 PolarHBondContact O-N 2.93Å; T1074-S1078 PolarHBondContact O-OG 2.78Å
1075	K	87.4	Confident	82.3	Confident	108 Å²	108	72.8 Å²	72.8	47%	0.47	39%	0.394	S	S	.	.	H	α-helix	trans	-64.4	-54.4	174.7	179.7	-177.3	169.8	-176.6	0	111.3	A1071 Q1072 W1077 S1078 E1079	A1071-K1075 WeakPolarHBondContact O-CB 2.98Å; A1071-K1075 PolarHBondContact O-N 2.9Å; Q1072-K1075 WeakPolarHBondContact O-CB 3.14Å; Q1072-K1075 PolarHBondContact O-N 3.14Å; K1075-W1077 VanDerWaalsContact C-N 3.28Å; K1075-W1077 PolarHBondContact O-N 2.82Å; K1075-S1078 WeakPolarHBondContact O-CB 3.43Å; K1075-S1078 PolarHBondContact O-N 2.95Å; K1075-E1079 VanDerWaalsContact CE-CD 3.46Å; K1075-E1079 WeakPolarHBondContact CE-OE1 3.4Å; K1075-E1079 HydrophobicContact CG-CG 4.39Å; K1075-E1079 IonicContact NZ-OE1 2.73Å; K1075-E1079 WeakPolarHBondContact O-CG 3.46Å; K1075-E1079 PolarHBondContact O-N 3.41Å
1076	E	86.7	Confident	83.4	Confident	55 Å²	55	70.5 Å²	70.5	26%	0.257	39%	0.388	S	S	.	.	H	α-helix	trans	-55.9	-42.1	179.3	-74	170	-175	0	0	112.1	M1004 H1008 Q1072 H1073 L1080	M1004-E1076 HydrophobicContact CE-CB 4.03Å; M1004-E1076 HydrophobicContact SD-CB 4.26Å; H1008-E1076 IonicContact CD2-OE2 3.97Å; H1008-E1076 IonicContact CE1-OE2 3.94Å; H1008-E1076 IonicContact NE2-OE2 2.63Å; H1008-E1076 PolarHBondContact NE2-OE2 2.92Å; Q1072-E1076 HydrophobicContact CG-CG 4.49Å; Q1072-E1076 WeakPolarHBondContact CG-OE1 3.07Å; Q1072-E1076 PolarHBondContact NE2-OE1 3.47Å; Q1072-E1076 WeakPolarHBondContact O-CB 3.23Å; Q1072-E1076 WeakPolarHBondContact O-CG 3.32Å; Q1072-E1076 PolarHBondContact O-N 3.29Å; H1073-E1076 IonicContact CD2-OE2 2.79Å; E1076-L1080 WeakPolarHBondContact O-CB 3.49Å; E1076-L1080 PolarHBondContact O-N 2.75Å
1077	W	88.6	Confident	84.4	Confident	90 Å²	90	69.9 Å²	69.9	34%	0.341	38%	0.381	S	S	.	.	H	α-helix	trans	-65.3	-43.1	175.4	-170.9	-91.4	0	0	0	111.9	Q1001 M1004 Q1005 H1073 K1075 L1080 I1081	Q1001-W1077 HydrophobicContact CB-CH2 3.84Å; Q1001-W1077 HydrophobicContact CB-CZ3 4.34Å; Q1001-W1077 HydrophobicContact CG-CH2 4.14Å; Q1001-W1077 HydrophobicContact CG-CZ2 4.4Å; Q1001-W1077 WeakPolarHBondContact O-CZ3 3.33Å; M1004-W1077 HydrophobicContact CB-CE3 4.48Å; M1004-W1077 HydrophobicContact CB-CZ3 4.4Å; M1004-W1077 HydrophobicContact CG-CE3 4.1Å; M1004-W1077 HydrophobicContact CG-CZ3 4.47Å; M1004-W1077 HydrophobicContact SD-CB 4.34Å; M1004-W1077 HydrophobicContact SD-CE3 3.83Å; Q1005-W1077 HydrophobicContact CB-CZ3 4.09Å; H1073-W1077 VanDerWaalsContact O-CB 3.3Å; H1073-W1077 WeakPolarHBondContact O-CB 3.44Å; H1073-W1077 PolarHBondContact O-N 3.47Å; K1075-W1077 VanDerWaalsContact C-N 3.28Å; K1075-W1077 PolarHBondContact O-N 2.82Å; W1077-L1080 PolarHBondContact O-N 3.06Å; W1077-I1081 VanDerWaalsContact O-CG1 3.3Å; W1077-I1081 WeakPolarHBondContact O-CG1 3.47Å; W1077-I1081 PolarHBondContact O-N 3.04Å
1078	S	86.4	Confident	85.4	Confident	70 Å²	70	63.6 Å²	63.6	49%	0.49	35%	0.354	S	S	.	.	H	α-helix	trans	-65.1	-40	178.4	-57.8	0	0	0	0	112	T1074 K1075 I1081 S1082	T1074-S1078 WeakPolarHBondContact O-CB 3.41Å; T1074-S1078 PolarHBondContact O-N 2.93Å; T1074-S1078 PolarHBondContact O-OG 2.78Å; K1075-S1078 WeakPolarHBondContact O-CB 3.43Å; K1075-S1078 PolarHBondContact O-N 2.95Å; S1078-I1081 PolarHBondContact O-N 3.47Å; S1078-S1082 WeakPolarHBondContact O-CB 3.46Å; S1078-S1082 PolarHBondContact O-N 3.46Å
1079	E	88.1	Confident	85.8	Confident	105 Å²	105	63 Å²	63	49%	0.491	35%	0.345	S	S	.	.	H	α-helix	trans	-65.1	-42.1	174.7	-71.7	173.9	159.8	0	0	111.3	K1075 S1082 S1083	K1075-E1079 VanDerWaalsContact CE-CD 3.46Å; K1075-E1079 WeakPolarHBondContact CE-OE1 3.4Å; K1075-E1079 HydrophobicContact CG-CG 4.39Å; K1075-E1079 IonicContact NZ-OE1 2.73Å; K1075-E1079 WeakPolarHBondContact O-CG 3.46Å; K1075-E1079 PolarHBondContact O-N 3.41Å; E1079-S1082 PolarHBondContact O-N 3.11Å; E1079-S1083 WeakPolarHBondContact O-CB 3.23Å; E1079-S1083 PolarHBondContact O-N 2.97Å
1080	L	90.2	Very high	86.3	Confident	32 Å²	32	66.6 Å²	66.6	17%	0.168	36%	0.361	C	S	.	.	H	α-helix	trans	-62.5	-45.7	174.4	-174.7	71.4	0	0	0	112.3	Q1001 M1004 E1076 W1077 S1082 S1083 H1084	Q1001-L1080 HydrophobicContact CG-CD2 4.23Å; M1004-L1080 HydrophobicContact CB-CD2 4.2Å; M1004-L1080 HydrophobicContact CE-CB 4Å; M1004-L1080 HydrophobicContact CE-CD2 3.96Å; M1004-L1080 HydrophobicContact CE-CG 4.38Å; M1004-L1080 HydrophobicContact SD-CB 4.15Å; M1004-L1080 HydrophobicContact SD-CD2 3.74Å; E1076-L1080 WeakPolarHBondContact O-CB 3.49Å; E1076-L1080 PolarHBondContact O-N 2.75Å; W1077-L1080 PolarHBondContact O-N 3.06Å; L1080-S1082 VanDerWaalsContact C-N 3.35Å; L1080-S1083 PolarHBondContact O-N 2.65Å; L1080-H1084 WeakPolarHBondContact CD1-NE2 3.35Å; L1080-H1084 WeakPolarHBondContact O-CB 3.38Å; L1080-H1084 VanDerWaalsContact O-CG 3.25Å; L1080-H1084 PolarHBondContact O-N 2.91Å
1081	I	89.4	Confident	86.8	Confident	68 Å²	68	65.3 Å²	65.3	35%	0.349	35%	0.35	S	S	.	.	H	α-helix	trans	-65.1	-39.1	177.6	-65.4	-58.3	0	0	0	111.2	Q1001 W1077 S1078 S1085	Q1001-I1081 HydrophobicContact CG-CD1 4.27Å; W1077-I1081 VanDerWaalsContact O-CG1 3.3Å; W1077-I1081 WeakPolarHBondContact O-CG1 3.47Å; W1077-I1081 PolarHBondContact O-N 3.04Å; S1078-I1081 PolarHBondContact O-N 3.47Å; I1081-S1085 WeakPolarHBondContact O-CB 3.35Å; I1081-S1085 PolarHBondContact O-N 3.35Å
1082	S	85.6	Confident	87.1	Confident	81 Å²	81	65.6 Å²	65.6	57%	0.566	34%	0.34	S	S	*	.	H	α-helix	trans	-62.9	-48	174.3	-169.1	0	0	0	0	111.7	S1078 E1079 L1080 S1085 S1086	S1078-S1082 WeakPolarHBondContact O-CB 3.46Å; S1078-S1082 PolarHBondContact O-N 3.46Å; E1079-S1082 PolarHBondContact O-N 3.11Å; L1080-S1082 VanDerWaalsContact C-N 3.35Å; S1082-S1085 WeakPolarHBondContact O-CB 3.45Å; S1082-S1085 PolarHBondContact O-N 3.15Å; S1082-S1086 PolarHBondContact O-N 2.97Å
1083	S	87.9	Confident	87.3	Confident	58 Å²	58	62.5 Å²	62.5	41%	0.406	33%	0.327	S	S	.	.	H	α-helix	trans	-58.8	-49.4	176.3	172.6	0	0	0	0	112.2	E1079 L1080 S1085 S1086 E1087	E1079-S1083 WeakPolarHBondContact O-CB 3.23Å; E1079-S1083 PolarHBondContact O-N 2.97Å; L1080-S1083 PolarHBondContact O-N 2.65Å; S1083-S1085 VanDerWaalsContact C-N 3.27Å; S1083-S1085 PolarHBondContact O-N 3.1Å; S1083-S1086 PolarHBondContact O-N 3.34Å; S1083-S1086 VanDerWaalsContact O-N 3.1Å; S1083-E1087 PolarHBondContact O-N 2.93Å
1084	H	91.4	Very high	87.3	Confident	11 Å²	11	64.3 Å²	64.3	5%	0.051	34%	0.342	C	S	.	.	H	α-helix	trans	-58.6	-38.7	175.2	-71.2	174.2	0	0	0	112.4	H997 L1080 S1086 E1088	H997-H1084 VanDerWaalsContact CA-CE1 3.48Å; H997-H1084 WeakPolarHBondContact CA-CE1 3.49Å; H997-H1084 HydrophobicContact CB-CB 4.43Å; H997-H1084 AromaticContact CD2-CD2 3.15Å; H997-H1084 PolarHBondContact CD2-CD2 2.89Å; H997-H1084 AromaticContact CD2-CE1 3.99Å; H997-H1084 AromaticContact CD2-CG 3.49Å; H997-H1084 VanDerWaalsContact CD2-CG 3.49Å; H997-H1084 AromaticContact CD2-ND1 4Å; H997-H1084 AromaticContact CD2-NE2 3.49Å; H997-H1084 PolarHBondContact CD2-NE2 3.35Å; H997-H1084 VanDerWaalsContact CE1-C 3.49Å; H997-H1084 PolarHBondContact CE1-O 3.16Å; H997-H1084 AromaticContact CG-CD2 3.68Å; H997-H1084 AromaticContact CG-CG 3.51Å; H997-H1084 AromaticContact CG-ND1 3.76Å; H997-H1084 AromaticContact CG-NE2 3.98Å; H997-H1084 AromaticContact ND1-CG 3.93Å; H997-H1084 AromaticContact NE2-CD2 3.79Å; H997-H1084 PolarHBondContact O-CE1 2.76Å; L1080-H1084 WeakPolarHBondContact CD1-NE2 3.35Å; L1080-H1084 WeakPolarHBondContact O-CB 3.38Å; L1080-H1084 VanDerWaalsContact O-CG 3.25Å; L1080-H1084 PolarHBondContact O-N 2.91Å; H1084-S1086 VanDerWaalsContact C-N 3.35Å; H1084-E1088 WeakPolarHBondContact O-CB 3.38Å; H1084-E1088 PolarHBondContact O-N 3.17Å
1085	S	84.7	Confident	87.7	Confident	63 Å²	63	61.1 Å²	61.1	44%	0.441	32%	0.321	S	S	.	.	H	α-helix	trans	-65.6	-35.9	176.5	-166.9	0	0	0	0	112.5	I1081 S1082 S1083 R1089	I1081-S1085 WeakPolarHBondContact O-CB 3.35Å; I1081-S1085 PolarHBondContact O-N 3.35Å; S1082-S1085 WeakPolarHBondContact O-CB 3.45Å; S1082-S1085 PolarHBondContact O-N 3.15Å; S1083-S1085 VanDerWaalsContact C-N 3.27Å; S1083-S1085 PolarHBondContact O-N 3.1Å; S1085-R1089 VanDerWaalsContact O-CB 3.29Å; S1085-R1089 WeakPolarHBondContact O-CB 3.38Å; S1085-R1089 PolarHBondContact O-N 3.25Å
1086	S	85.9	Confident	87.9	Confident	47 Å²	47	56.8 Å²	56.8	33%	0.329	30%	0.303	S	S	.	.	H	α-helix	trans	-70.9	-49	173.8	-146.5	0	0	0	0	111.9	S1082 S1083 H1084 E1088 R1089 E1090	S1082-S1086 PolarHBondContact O-N 2.97Å; S1083-S1086 PolarHBondContact O-N 3.34Å; S1083-S1086 VanDerWaalsContact O-N 3.1Å; H1084-S1086 VanDerWaalsContact C-N 3.35Å; S1086-E1088 VanDerWaalsContact C-N 3.28Å; S1086-E1088 PolarHBondContact O-N 3.17Å; S1086-R1089 WeakPolarHBondContact O-CA 3.41Å; S1086-R1089 WeakPolarHBondContact O-CB 3.47Å; S1086-R1089 PolarHBondContact O-N 2.8Å; S1086-E1090 VanDerWaalsContact CB-OE1 3.26Å; S1086-E1090 WeakPolarHBondContact CB-OE1 3.43Å; S1086-E1090 WeakPolarHBondContact O-CG 3.12Å; S1086-E1090 PolarHBondContact O-N 3.42Å; S1086-E1090 PolarHBondContact OG-OE1 2.89Å
1087	E	87.9	Confident	88	Confident	54 Å²	54	57.1 Å²	57.1	25%	0.252	31%	0.31	S	S	.	.	H	α-helix	trans	-55.2	-43.2	175.6	-73.3	-171.9	-166.1	0	0	111.8	L993 K996 H997 S1083 R1089 M1091	L993-E1087 WeakPolarHBondContact CD1-OE2 3.34Å; L993-E1087 HydrophobicContact CD2-CB 4.35Å; K996-E1087 IonicContact NZ-OE1 3.7Å; K996-E1087 PolarHBondContact NZ-OE1 2.96Å; K996-E1087 IonicContact NZ-OE2 2.78Å; K996-E1087 PolarHBondContact NZ-OE2 3.38Å; H997-E1087 IonicContact CD2-OE2 3.77Å; H997-E1087 VanDerWaalsContact CE1-CB 3.43Å; H997-E1087 WeakPolarHBondContact CE1-CB 3.48Å; H997-E1087 WeakPolarHBondContact NE2-CB 3.46Å; H997-E1087 WeakPolarHBondContact NE2-CG 3.42Å; H997-E1087 IonicContact NE2-OE1 2.73Å; H997-E1087 IonicContact NE2-OE2 3.2Å; H997-E1087 PolarHBondContact NE2-OE2 3.35Å; S1083-E1087 PolarHBondContact O-N 2.93Å; E1087-R1089 VanDerWaalsContact C-N 3.27Å; E1087-R1089 PolarHBondContact O-N 3.05Å; E1087-M1091 VanDerWaalsContact O-CB 3.32Å; E1087-M1091 WeakPolarHBondContact O-CB 3.4Å; E1087-M1091 PolarHBondContact O-N 3.07Å; E1087-M1091 VanDerWaalsContact O-N 3.11Å
1088	E	86.9	Confident	88.1	Confident	37 Å²	37	55.6 Å²	55.6	17%	0.173	31%	0.306	C	S	.	.	H	α-helix	trans	-71.2	-17.4	176.8	-108.7	-156.4	-113.8	0	0	114.1	L990 L993 K994 H997 H1084 S1086 K1092	L990-E1088 HydrophobicContact CD1-CG 3.92Å; L993-E1088 HydrophobicContact CD2-CB 4.34Å; L993-E1088 HydrophobicContact CD2-CG 3.74Å; K994-E1088 WeakPolarHBondContact CE-OE1 3.49Å; K994-E1088 WeakPolarHBondContact CE-OE2 3.5Å; K994-E1088 WeakPolarHBondContact CG-OE1 3.27Å; K994-E1088 IonicContact NZ-OE1 3.99Å; K994-E1088 IonicContact NZ-OE2 3.42Å; K994-E1088 PolarHBondContact NZ-OE2 3.21Å; H997-E1088 VanDerWaalsContact CE1-CB 3.48Å; H997-E1088 WeakPolarHBondContact CE1-CB 3.4Å; H997-E1088 WeakPolarHBondContact CE1-CG 3.4Å; H997-E1088 PolarHBondContact CE1-N 2.78Å; H1084-E1088 WeakPolarHBondContact O-CB 3.38Å; H1084-E1088 PolarHBondContact O-N 3.17Å; S1086-E1088 VanDerWaalsContact C-N 3.28Å; S1086-E1088 PolarHBondContact O-N 3.17Å; E1088-K1092 WeakPolarHBondContact O-CD 3.49Å; E1088-K1092 VanDerWaalsContact O-CE 3.25Å; E1088-K1092 WeakPolarHBondContact O-CE 3.33Å; E1088-K1092 WeakPolarHBondContact O-CG 3.26Å; E1088-K1092 PolarHBondContact O-NZ 3.28Å; E1088-K1092 IonicContact OE2-NZ 2.76Å; E1088-K1092 PolarHBondContact OE2-NZ 2.71Å
1089	R	82.8	Confident	88.4	Confident	79 Å²	79	54 Å²	54	30%	0.298	29%	0.291	S	S	.	.	H	α-helix	trans	-89.9	-47.7	177.7	179	-178	-72.9	158.6	-4.9	110.8	S1085 S1086 E1087 M1091 K1092 D1093	S1085-R1089 VanDerWaalsContact O-CB 3.29Å; S1085-R1089 WeakPolarHBondContact O-CB 3.38Å; S1085-R1089 PolarHBondContact O-N 3.25Å; S1086-R1089 WeakPolarHBondContact O-CA 3.41Å; S1086-R1089 WeakPolarHBondContact O-CB 3.47Å; S1086-R1089 PolarHBondContact O-N 2.8Å; E1087-R1089 VanDerWaalsContact C-N 3.27Å; E1087-R1089 PolarHBondContact O-N 3.05Å; R1089-M1091 VanDerWaalsContact C-N 3.32Å; R1089-M1091 PolarHBondContact O-N 2.6Å; R1089-K1092 PolarHBondContact O-N 2.99Å; R1089-D1093 PolarHBondContact O-N 3.21Å
1090	E	87.4	Confident	88.6	Confident	113 Å²	113	49.4 Å²	49.4	53%	0.528	27%	0.27	S	S	.	.	H	α-helix	trans	-59.4	-42	176	-70.4	156.3	-136	0	0	111.5	S1086 K1092 D1093 S1094	S1086-E1090 VanDerWaalsContact CB-OE1 3.26Å; S1086-E1090 WeakPolarHBondContact CB-OE1 3.43Å; S1086-E1090 WeakPolarHBondContact O-CG 3.12Å; S1086-E1090 PolarHBondContact O-N 3.42Å; S1086-E1090 PolarHBondContact OG-OE1 2.89Å; E1090-K1092 VanDerWaalsContact C-N 3.3Å; E1090-K1092 PolarHBondContact O-N 2.73Å; E1090-D1093 PolarHBondContact O-N 3.32Å; E1090-S1094 WeakPolarHBondContact O-CB 3.37Å; E1090-S1094 PolarHBondContact O-N 3.32Å
1091	M	89.4	Confident	88.6	Confident	51 Å²	51	52 Å²	52	25%	0.251	28%	0.282	S	S	.	.	H	α-helix	trans	-61	-37.8	174.1	-175.5	170.7	-71.3	0	0	112.2	E989 L993 E1087 R1089 H1095	E989-M1091 HydrophobicContact CB-SD 4.13Å; L993-M1091 HydrophobicContact CB-CE 4.23Å; L993-M1091 HydrophobicContact CB-SD 4.14Å; L993-M1091 HydrophobicContact CD1-CE 4.23Å; L993-M1091 HydrophobicContact CD2-CB 4.3Å; L993-M1091 HydrophobicContact CD2-CE 3.89Å; L993-M1091 HydrophobicContact CD2-SD 3.81Å; L993-M1091 HydrophobicContact CG-CE 4.34Å; E1087-M1091 VanDerWaalsContact O-CB 3.32Å; E1087-M1091 WeakPolarHBondContact O-CB 3.4Å; E1087-M1091 PolarHBondContact O-N 3.07Å; E1087-M1091 VanDerWaalsContact O-N 3.11Å; R1089-M1091 VanDerWaalsContact C-N 3.32Å; R1089-M1091 PolarHBondContact O-N 2.6Å; M1091-H1095 WeakPolarHBondContact O-CB 3.03Å; M1091-H1095 PolarHBondContact O-CD2 3.11Å; M1091-H1095 PolarHBondContact O-N 3.26Å
1092	K	87.4	Confident	88.8	Confident	65 Å²	65	51.2 Å²	51.2	28%	0.283	28%	0.276	S	S	.	.	H	α-helix	trans	-74	-43.8	178.3	-68.8	172.1	-165.9	117.9	0	112.3	E1088 R1089 E1090 S1094 H1095 V1096	E1088-K1092 WeakPolarHBondContact O-CD 3.49Å; E1088-K1092 VanDerWaalsContact O-CE 3.25Å; E1088-K1092 WeakPolarHBondContact O-CE 3.33Å; E1088-K1092 WeakPolarHBondContact O-CG 3.26Å; E1088-K1092 PolarHBondContact O-NZ 3.28Å; E1088-K1092 IonicContact OE2-NZ 2.76Å; E1088-K1092 PolarHBondContact OE2-NZ 2.71Å; R1089-K1092 PolarHBondContact O-N 2.99Å; E1090-K1092 VanDerWaalsContact C-N 3.3Å; E1090-K1092 PolarHBondContact O-N 2.73Å; K1092-S1094 VanDerWaalsContact C-N 3.31Å; K1092-S1094 PolarHBondContact O-N 3.39Å; K1092-H1095 PolarHBondContact O-N 2.65Å; K1092-H1095 VanDerWaalsContact O-N 3.17Å; K1092-V1096 WeakPolarHBondContact O-CG2 3.31Å; K1092-V1096 PolarHBondContact O-N 2.86Å
1093	D	86.1	Confident	89	Confident	22 Å²	22	47.4 Å²	47.4	12%	0.118	25%	0.249	C	C	.	.	H	α-helix	trans	-56.7	-46.5	173	-81.9	-27	0	0	0	110	R1089 E1090 H1095 V1096 T1097 H1211 H1212 K1215	R1089-D1093 PolarHBondContact O-N 3.21Å; E1090-D1093 PolarHBondContact O-N 3.32Å; D1093-H1095 PolarHBondContact O-N 2.82Å; D1093-V1096 PolarHBondContact O-N 3.03Å; D1093-T1097 PolarHBondContact O-N 3Å; D1093-T1097 VanDerWaalsContact O-N 3.12Å; D1093-T1097 PolarHBondContact O-OG1 3.42Å; D1093-H1211 IonicContact OD1-CE1 3.4Å; D1093-H1211 PolarHBondContact OD1-CE1 3.28Å; D1093-H1211 IonicContact OD1-ND1 3.24Å; D1093-H1211 PolarHBondContact OD1-ND1 3.26Å; D1093-H1212 IonicContact OD1-CE1 3.63Å; D1093-H1212 IonicContact OD1-ND1 2.72Å; D1093-K1215 IonicContact OD2-NZ 3.58Å; D1093-K1215 PolarHBondContact OD2-NZ 3.11Å
1094	S	88.8	Confident	89.2	Confident	58 Å²	58	48.5 Å²	48.5	41%	0.406	25%	0.247	S	C	.	.	H	α-helix	trans	-61.7	-42.2	174.2	-170.4	0	0	0	0	112.9	E1090 K1092 V1096 T1097 Q1098	E1090-S1094 WeakPolarHBondContact O-CB 3.37Å; E1090-S1094 PolarHBondContact O-N 3.32Å; K1092-S1094 VanDerWaalsContact C-N 3.31Å; K1092-S1094 PolarHBondContact O-N 3.39Å; S1094-V1096 VanDerWaalsContact C-N 3.33Å; S1094-V1096 PolarHBondContact O-N 3.16Å; S1094-T1097 PolarHBondContact O-N 3.28Å; S1094-Q1098 WeakPolarHBondContact O-CB 3.36Å; S1094-Q1098 WeakPolarHBondContact O-CG 2.77Å; S1094-Q1098 PolarHBondContact O-N 3.35Å; S1094-Q1098 PolarHBondContact O-NE2 3.33Å; S1094-Q1098 PolarHBondContact OG-NE2 3.39Å
1095	H	93.4	Very high	89.2	Confident	16 Å²	16	54 Å²	54	7%	0.074	27%	0.271	C	S	.	.	H	α-helix	trans	-62	-37.6	177.7	-74.9	175.7	0	0	0	112.9	Q986 E989 M1091 K1092 D1093 Q1099	Q986-H1095 HydrophobicContact CG-CB 4.24Å; Q986-H1095 PolarHBondContact NE2-O 2.93Å; Q986-H1095 PolarHBondContact O-CE1 3.3Å; E989-H1095 IonicContact OE2-CD2 3.57Å; E989-H1095 IonicContact OE2-CE1 3.1Å; E989-H1095 IonicContact OE2-NE2 3.4Å; E989-H1095 PolarHBondContact OE2-NE2 2.99Å; M1091-H1095 WeakPolarHBondContact O-CB 3.03Å; M1091-H1095 PolarHBondContact O-CD2 3.11Å; M1091-H1095 PolarHBondContact O-N 3.26Å; K1092-H1095 PolarHBondContact O-N 2.65Å; K1092-H1095 VanDerWaalsContact O-N 3.17Å; D1093-H1095 PolarHBondContact O-N 2.82Å; H1095-Q1099 WeakPolarHBondContact O-CG 3.44Å; H1095-Q1099 PolarHBondContact O-N 3.07Å; H1095-Q1099 VanDerWaalsContact O-N 3.12Å
1096	V	90.1	Very high	89.5	Confident	17 Å²	17	52.1 Å²	52.1	10%	0.103	26%	0.256	C	S	.	.	H	α-helix	trans	-69	-46.4	176.1	175	0	0	0	0	111.1	K1092 D1093 S1094 Q1098 Q1099 C1100 L1207 L1208	K1092-V1096 WeakPolarHBondContact O-CG2 3.31Å; K1092-V1096 PolarHBondContact O-N 2.86Å; D1093-V1096 PolarHBondContact O-N 3.03Å; S1094-V1096 VanDerWaalsContact C-N 3.33Å; S1094-V1096 PolarHBondContact O-N 3.16Å; V1096-Q1098 VanDerWaalsContact C-N 3.32Å; V1096-Q1098 PolarHBondContact O-N 3.1Å; V1096-Q1099 WeakPolarHBondContact O-CB 3.43Å; V1096-Q1099 PolarHBondContact O-N 3.44Å; V1096-C1100 PolarHBondContact O-N 3.21Å; V1096-L1207 HydrophobicContact CG1-CD2 4.01Å; V1096-L1207 HydrophobicContact CG1-CG 4.29Å; V1096-L1208 HydrophobicContact CG1-CD2 3.84Å; V1096-L1208 HydrophobicContact CG1-CG 4.47Å
1097	T	89.6	Confident	89.8	Confident	63 Å²	63	50 Å²	50	39%	0.387	24%	0.241	S	C	.	.	H	α-helix	trans	-58.1	-44.5	175.7	-59.4	0	0	0	0	111.7	D1093 S1094 Q1099 C1100 E1101	D1093-T1097 PolarHBondContact O-N 3Å; D1093-T1097 VanDerWaalsContact O-N 3.12Å; D1093-T1097 PolarHBondContact O-OG1 3.42Å; S1094-T1097 PolarHBondContact O-N 3.28Å; T1097-Q1099 VanDerWaalsContact C-N 3.31Å; T1097-Q1099 PolarHBondContact O-N 3.48Å; T1097-C1100 PolarHBondContact O-N 3.44Å; T1097-E1101 PolarHBondContact O-N 3.21Å
1098	Q	91.5	Very high	89.8	Confident	57 Å²	57	49.9 Å²	49.9	27%	0.266	25%	0.246	S	C	.	.	H	α-helix	trans	-59.3	-37	174.3	-71.1	167.1	32.9	0	0	113	S1094 V1096 H1102	S1094-Q1098 WeakPolarHBondContact O-CB 3.36Å; S1094-Q1098 WeakPolarHBondContact O-CG 2.77Å; S1094-Q1098 PolarHBondContact O-N 3.35Å; S1094-Q1098 PolarHBondContact O-NE2 3.33Å; S1094-Q1098 PolarHBondContact OG-NE2 3.39Å; V1096-Q1098 VanDerWaalsContact C-N 3.32Å; V1096-Q1098 PolarHBondContact O-N 3.1Å; Q1098-H1102 WeakPolarHBondContact O-CB 3.29Å; Q1098-H1102 PolarHBondContact O-N 2.94Å
1099	Q	91.4	Very high	90	Very high	37 Å²	37	50.4 Å²	50.4	17%	0.173	25%	0.254	C	S	.	.	H	α-helix	trans	-67.4	-46.9	175.9	-75.3	171.8	40.1	0	0	111.3	Y979 L982 I983 H1095 V1096 T1097 H1102 L1103	Y979-Q1099 HydrophobicContact CE2-CB 4.09Å; Y979-Q1099 HydrophobicContact CE2-CG 4.21Å; Y979-Q1099 PolarHBondContact OH-OE1 3.48Å; Y979-Q1099 VanDerWaalsContact OH-OE1 3.13Å; L982-Q1099 HydrophobicContact CD2-CG 4.37Å; I983-Q1099 HydrophobicContact CD1-CG 3.78Å; H1095-Q1099 WeakPolarHBondContact O-CG 3.44Å; H1095-Q1099 PolarHBondContact O-N 3.07Å; H1095-Q1099 VanDerWaalsContact O-N 3.12Å; V1096-Q1099 WeakPolarHBondContact O-CB 3.43Å; V1096-Q1099 PolarHBondContact O-N 3.44Å; T1097-Q1099 VanDerWaalsContact C-N 3.31Å; T1097-Q1099 PolarHBondContact O-N 3.48Å; Q1099-H1102 PolarHBondContact O-N 2.96Å; Q1099-L1103 WeakPolarHBondContact O-CG 3.41Å; Q1099-L1103 PolarHBondContact O-N 2.88Å
1100	C	91.7	Very high	90.2	Very high	8 Å²	8	47.5 Å²	47.5	5%	0.054	25%	0.245	C	C	.	.	H	α-helix	trans	-57.9	-49	176.5	-69.8	0	0	0	0	112	V1096 T1097 L1103 K1104 N1204	V1096-C1100 PolarHBondContact O-N 3.21Å; T1097-C1100 PolarHBondContact O-N 3.44Å; C1100-L1103 PolarHBondContact O-N 3.03Å; C1100-K1104 PolarHBondContact O-N 3.35Å; C1100-K1104 VanDerWaalsContact O-N 3.12Å; C1100-N1204 HydrophobicContact CB-CB 4.07Å; C1100-N1204 PolarHBondContact O-ND2 2.85Å; C1100-N1204 VanDerWaalsContact O-ND2 3.14Å
1101	E	91.5	Very high	90.3	Very high	88 Å²	88	43.2 Å²	43.2	41%	0.411	23%	0.225	S	C	.	.	H	α-helix	trans	-59.5	-44.8	175	-82.2	-172.6	-129.1	0	0	112.7	T1097 L1103 K1104 K1105	T1097-E1101 PolarHBondContact O-N 3.21Å; E1101-L1103 VanDerWaalsContact C-N 3.31Å; E1101-L1103 PolarHBondContact O-N 3.5Å; E1101-K1104 PolarHBondContact O-N 3.11Å; E1101-K1105 WeakPolarHBondContact O-CB 3.45Å; E1101-K1105 WeakPolarHBondContact O-CG 3.32Å; E1101-K1105 PolarHBondContact O-N 2.94Å; E1101-K1105 IonicContact OE2-NZ 1.85Å; E1101-K1105 PolarHBondContact OE2-NZ 2.83Å
1102	H	92.6	Very high	90.3	Very high	50 Å²	50	46.9 Å²	46.9	23%	0.231	24%	0.241	C	C	.	.	H	α-helix	trans	-68.2	-34.3	-176.3	-165.3	52.6	0	0	0	111.3	S978 L982 Q1098 Q1099 K1105 L1106	S978-H1102 WeakPolarHBondContact CB-NE2 3.35Å; L982-H1102 HydrophobicContact CD2-CB 3.67Å; Q1098-H1102 WeakPolarHBondContact O-CB 3.29Å; Q1098-H1102 PolarHBondContact O-N 2.94Å; Q1099-H1102 PolarHBondContact O-N 2.96Å; H1102-K1105 PolarHBondContact O-N 3.29Å; H1102-L1106 WeakPolarHBondContact O-CB 3.26Å; H1102-L1106 VanDerWaalsContact O-CG 3.23Å; H1102-L1106 WeakPolarHBondContact O-CG 3.41Å; H1102-L1106 PolarHBondContact O-N 3.46Å
1103	L	91.5	Very high	90.2	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-64.9	-42.8	170.7	-69.3	166.5	0	0	0	111.9	L973 K974 Y979 Q1099 C1100 E1101 K1105 L1106 L1107 L1200	L973-L1103 HydrophobicContact CB-CD2 3.7Å; K974-L1103 HydrophobicContact CG-CD2 3.95Å; Y979-L1103 HydrophobicContact CD2-CD2 3.71Å; Y979-L1103 HydrophobicContact CD2-CG 3.9Å; Y979-L1103 HydrophobicContact CE2-CD1 3.86Å; Y979-L1103 HydrophobicContact CE2-CD2 3.73Å; Y979-L1103 HydrophobicContact CE2-CG 3.55Å; Y979-L1103 HydrophobicContact CG-CD2 4.41Å; Q1099-L1103 WeakPolarHBondContact O-CG 3.41Å; Q1099-L1103 PolarHBondContact O-N 2.88Å; C1100-L1103 PolarHBondContact O-N 3.03Å; E1101-L1103 VanDerWaalsContact C-N 3.31Å; E1101-L1103 PolarHBondContact O-N 3.5Å; L1103-K1105 PolarHBondContact O-N 3.18Å; L1103-L1106 PolarHBondContact O-N 2.66Å; L1103-L1107 PolarHBondContact O-N 2.95Å; L1103-L1200 HydrophobicContact CB-CD1 3.9Å; L1103-L1200 HydrophobicContact CB-CD2 4.24Å; L1103-L1200 HydrophobicContact CD1-CD1 4.43Å
1104	K	91.3	Very high	90.2	Very high	82 Å²	82	49.2 Å²	49.2	36%	0.357	25%	0.252	S	S	.	.	H	α-helix	trans	-58	-49.3	173.8	-69.6	-162.3	-173.2	-167.2	0	110.8	C1100 E1101 L1106 L1107 S1108 L1200 E1201	C1100-K1104 PolarHBondContact O-N 3.35Å; C1100-K1104 VanDerWaalsContact O-N 3.12Å; E1101-K1104 PolarHBondContact O-N 3.11Å; K1104-L1106 VanDerWaalsContact C-N 3.32Å; K1104-L1106 PolarHBondContact O-N 2.64Å; K1104-L1107 PolarHBondContact O-N 3.29Å; K1104-L1107 VanDerWaalsContact O-N 3.15Å; K1104-S1108 PolarHBondContact O-N 3Å; K1104-S1108 PolarHBondContact O-OG 3.36Å; K1104-L1200 HydrophobicContact CG-CD2 4.25Å; K1104-E1201 VanDerWaalsContact CE-OE1 3.27Å; K1104-E1201 WeakPolarHBondContact CE-OE1 3.15Å; K1104-E1201 IonicContact NZ-OE1 3.83Å; K1104-E1201 PolarHBondContact NZ-OE1 2.86Å
1105	K	91.9	Very high	90.2	Very high	125 Å²	125	47.7 Å²	47.7	54%	0.543	24%	0.24	S	C	.	.	H	α-helix	trans	-61.7	-35.6	180	-70.1	163.3	-178.5	170.7	0	112.8	E1101 H1102 L1103 S1109	E1101-K1105 WeakPolarHBondContact O-CB 3.45Å; E1101-K1105 WeakPolarHBondContact O-CG 3.32Å; E1101-K1105 PolarHBondContact O-N 2.94Å; E1101-K1105 IonicContact OE2-NZ 1.85Å; E1101-K1105 PolarHBondContact OE2-NZ 2.83Å; H1102-K1105 PolarHBondContact O-N 3.29Å; L1103-K1105 PolarHBondContact O-N 3.18Å; K1105-S1109 PolarHBondContact O-N 2.73Å
1106	L	91.1	Very high	89.9	Confident	24 Å²	24	52.1 Å²	52.1	13%	0.126	26%	0.264	C	S	.	.	H	α-helix	trans	-73.1	-37.8	174.1	-69.2	170.7	0	0	0	112.4	L973 M976 S978 H1102 L1103 K1104 S1109 V1110	L973-L1106 HydrophobicContact CD2-CB 4.15Å; M976-L1106 HydrophobicContact CB-CD1 4.42Å; M976-L1106 HydrophobicContact SD-CB 4.38Å; M976-L1106 HydrophobicContact SD-CD1 4.44Å; M976-L1106 HydrophobicContact SD-CD2 4.18Å; S978-L1106 WeakPolarHBondContact OG-CD1 3.41Å; S978-L1106 WeakPolarHBondContact OG-CD2 3.41Å; H1102-L1106 WeakPolarHBondContact O-CB 3.26Å; H1102-L1106 VanDerWaalsContact O-CG 3.23Å; H1102-L1106 WeakPolarHBondContact O-CG 3.41Å; H1102-L1106 PolarHBondContact O-N 3.46Å; L1103-L1106 PolarHBondContact O-N 2.66Å; K1104-L1106 VanDerWaalsContact C-N 3.32Å; K1104-L1106 PolarHBondContact O-N 2.64Å; L1106-S1109 PolarHBondContact O-N 2.91Å; L1106-V1110 WeakPolarHBondContact O-CG2 3.26Å; L1106-V1110 PolarHBondContact O-N 3.43Å; L1106-V1110 VanDerWaalsContact O-N 3.11Å
1107	L	90.7	Very high	89.7	Confident	4 Å²	4	55.8 Å²	55.8	2%	0.021	28%	0.28	C	S	.	.	H	α-helix	trans	-62.5	-49.8	174.7	-178.7	60.2	0	0	0	111.1	L973 L1103 K1104 S1109 V1110 Q1111 Q1196 L1197 L1200	L973-L1107 HydrophobicContact CD1-CB 3.9Å; L973-L1107 HydrophobicContact CD1-CD1 4.32Å; L1103-L1107 PolarHBondContact O-N 2.95Å; K1104-L1107 PolarHBondContact O-N 3.29Å; K1104-L1107 VanDerWaalsContact O-N 3.15Å; L1107-S1109 VanDerWaalsContact C-N 3.31Å; L1107-S1109 PolarHBondContact O-N 2.82Å; L1107-V1110 WeakPolarHBondContact O-CB 3.5Å; L1107-V1110 PolarHBondContact O-N 3.48Å; L1107-V1110 VanDerWaalsContact O-N 3.08Å; L1107-Q1111 HydrophobicContact CD1-CG 4.12Å; L1107-Q1111 HydrophobicContact CG-CG 4.31Å; L1107-Q1111 VanDerWaalsContact O-CG 3.3Å; L1107-Q1111 WeakPolarHBondContact O-CG 3.37Å; L1107-Q1111 PolarHBondContact O-N 2.75Å; L1107-Q1196 HydrophobicContact CD1-CB 4.19Å; L1107-Q1196 HydrophobicContact CD2-CB 4.28Å; L1107-L1197 HydrophobicContact CD2-CB 4.42Å; L1107-L1197 HydrophobicContact CD2-CD1 4.22Å; L1107-L1200 HydrophobicContact CB-CD2 3.9Å; L1107-L1200 HydrophobicContact CD2-CB 4.12Å; L1107-L1200 HydrophobicContact CD2-CD2 3.66Å; L1107-L1200 HydrophobicContact CG-CD2 4.43Å
1108	S	89.6	Confident	89.6	Confident	51 Å²	51	53.1 Å²	53.1	36%	0.357	26%	0.263	S	S	.	.	H	α-helix	trans	-56.5	-43.6	178.3	-55	0	0	0	0	112.3	K1104 V1110 Q1111 E1112	K1104-S1108 PolarHBondContact O-N 3Å; K1104-S1108 PolarHBondContact O-OG 3.36Å; S1108-V1110 VanDerWaalsContact C-N 3.33Å; S1108-V1110 PolarHBondContact O-N 3.02Å; S1108-Q1111 PolarHBondContact O-N 3.45Å; S1108-Q1111 VanDerWaalsContact O-N 3.11Å; S1108-E1112 WeakPolarHBondContact O-CG 3.28Å; S1108-E1112 PolarHBondContact O-N 3.44Å
1109	S	89.8	Confident	89.4	Confident	48 Å²	48	56 Å²	56	34%	0.336	28%	0.275	S	S	.	.	H	α-helix	trans	-66.9	-31.1	178.2	-167.8	0	0	0	0	113.5	K1105 L1106 L1107 Q1113	K1105-S1109 PolarHBondContact O-N 2.73Å; L1106-S1109 PolarHBondContact O-N 2.91Å; L1107-S1109 VanDerWaalsContact C-N 3.31Å; L1107-S1109 PolarHBondContact O-N 2.82Å; S1109-Q1113 WeakPolarHBondContact O-CG 3.46Å; S1109-Q1113 PolarHBondContact O-N 2.88Å
1110	V	88.3	Confident	89.1	Confident	18 Å²	18	59 Å²	59	11%	0.109	29%	0.292	C	S	.	.	H	α-helix	trans	-66.9	-44.9	169.1	165.7	0	0	0	0	110.6	V968 L973 M976 L1106 L1107 S1108 E1112 Q1113 Q1114	V968-V1110 HydrophobicContact CB-CG1 4.13Å; V968-V1110 HydrophobicContact CG1-CG1 4.49Å; V968-V1110 HydrophobicContact CG2-CG1 3.75Å; L973-V1110 HydrophobicContact CD2-CG2 4.19Å; M976-V1110 HydrophobicContact CE-CG2 3.77Å; L1106-V1110 WeakPolarHBondContact O-CG2 3.26Å; L1106-V1110 PolarHBondContact O-N 3.43Å; L1106-V1110 VanDerWaalsContact O-N 3.11Å; L1107-V1110 WeakPolarHBondContact O-CB 3.5Å; L1107-V1110 PolarHBondContact O-N 3.48Å; L1107-V1110 VanDerWaalsContact O-N 3.08Å; S1108-V1110 VanDerWaalsContact C-N 3.33Å; S1108-V1110 PolarHBondContact O-N 3.02Å; V1110-E1112 PolarHBondContact O-N 3.32Å; V1110-Q1113 PolarHBondContact O-N 3.08Å; V1110-Q1113 VanDerWaalsContact O-N 3.16Å; V1110-Q1114 HydrophobicContact CG1-CG 4.28Å; V1110-Q1114 VanDerWaalsContact O-CG 3.32Å; V1110-Q1114 WeakPolarHBondContact O-CG 3.2Å; V1110-Q1114 PolarHBondContact O-N 2.89Å
1111	Q	89.1	Confident	88.8	Confident	23 Å²	23	60.4 Å²	60.4	11%	0.107	30%	0.299	C	S	.	.	H	α-helix	trans	-65.6	-38	-177.8	-68.2	179.4	-23.4	0	0	112.2	L1107 S1108 Q1114 T1115 Q1193	L1107-Q1111 HydrophobicContact CD1-CG 4.12Å; L1107-Q1111 HydrophobicContact CG-CG 4.31Å; L1107-Q1111 VanDerWaalsContact O-CG 3.3Å; L1107-Q1111 WeakPolarHBondContact O-CG 3.37Å; L1107-Q1111 PolarHBondContact O-N 2.75Å; S1108-Q1111 PolarHBondContact O-N 3.45Å; S1108-Q1111 VanDerWaalsContact O-N 3.11Å; Q1111-Q1114 PolarHBondContact O-N 3.45Å; Q1111-T1115 WeakPolarHBondContact O-CB 3.36Å; Q1111-T1115 PolarHBondContact O-N 3.04Å; Q1111-T1115 PolarHBondContact O-OG1 2.92Å; Q1111-T1115 VanDerWaalsContact O-OG1 3.12Å; Q1111-Q1193 HydrophobicContact CB-CG 4.16Å; Q1111-Q1193 HydrophobicContact CG-CB 4.17Å; Q1111-Q1193 HydrophobicContact CG-CG 3.79Å; Q1111-Q1193 PolarHBondContact NE2-O 2.93Å; Q1111-Q1193 PolarHBondContact O-NE2 3.5Å
1112	E	88.6	Confident	88.7	Confident	128 Å²	128	57 Å²	57	60%	0.598	28%	0.283	S	S	*	.	H	α-helix	trans	-57.4	-46.9	169.1	-73.1	167.4	-179.1	0	0	112.1	S1108 V1110 T1115 L1116	S1108-E1112 WeakPolarHBondContact O-CG 3.28Å; S1108-E1112 PolarHBondContact O-N 3.44Å; V1110-E1112 PolarHBondContact O-N 3.32Å; E1112-T1115 PolarHBondContact O-N 3.49Å; E1112-L1116 WeakPolarHBondContact O-CB 3.32Å; E1112-L1116 PolarHBondContact O-N 3.2Å
1113	Q	86.2	Confident	88.5	Confident	126 Å²	126	58.8 Å²	58.8	59%	0.589	29%	0.291	S	S	*	.	H	α-helix	trans	-65.9	-41.7	179	-71.3	174.1	28.4	0	0	112.3	S1109 V1110 L1116 Q1117	S1109-Q1113 WeakPolarHBondContact O-CG 3.46Å; S1109-Q1113 PolarHBondContact O-N 2.88Å; V1110-Q1113 PolarHBondContact O-N 3.08Å; V1110-Q1113 VanDerWaalsContact O-N 3.16Å; Q1113-L1116 PolarHBondContact O-N 3.02Å; Q1113-Q1117 WeakPolarHBondContact O-CB 3.15Å; Q1113-Q1117 PolarHBondContact O-N 2.84Å
1114	Q	86.1	Confident	88.3	Confident	9 Å²	9	67.5 Å²	67.5	4%	0.042	32%	0.324	C	S	.	.	H	α-helix	trans	-57.9	-47.7	173.5	-73.3	178.1	-21.3	0	0	111.5	V965 P966 V1110 Q1111 Q1117 L1118 L1189	V965-Q1114 HydrophobicContact CG1-CB 3.67Å; V965-Q1114 HydrophobicContact CG1-CG 3.44Å; V965-Q1114 VanDerWaalsContact CG1-CG 3.44Å; P966-Q1114 PolarHBondContact O-NE2 2.99Å; V1110-Q1114 HydrophobicContact CG1-CG 4.28Å; V1110-Q1114 VanDerWaalsContact O-CG 3.32Å; V1110-Q1114 WeakPolarHBondContact O-CG 3.2Å; V1110-Q1114 PolarHBondContact O-N 2.89Å; Q1111-Q1114 PolarHBondContact O-N 3.45Å; Q1114-Q1117 PolarHBondContact O-N 2.67Å; Q1114-L1118 PolarHBondContact O-N 2.87Å; Q1114-L1189 HydrophobicContact CB-CD1 4.35Å; Q1114-L1189 HydrophobicContact CB-CD2 4.46Å
1115	T	88	Confident	88.1	Confident	26 Å²	26	65.9 Å²	65.9	16%	0.16	32%	0.318	C	S	.	.	H	α-helix	trans	-67.7	-38.1	-179.8	-68.3	0	0	0	0	112.1	Q1111 E1112 K1119 M1186 Q1193	Q1111-T1115 WeakPolarHBondContact O-CB 3.36Å; Q1111-T1115 PolarHBondContact O-N 3.04Å; Q1111-T1115 PolarHBondContact O-OG1 2.92Å; Q1111-T1115 VanDerWaalsContact O-OG1 3.12Å; E1112-T1115 PolarHBondContact O-N 3.49Å; T1115-K1119 HydrophobicContact CG2-CD 4.15Å; T1115-K1119 WeakPolarHBondContact O-CB 3.43Å; T1115-K1119 VanDerWaalsContact O-CG 3.31Å; T1115-K1119 WeakPolarHBondContact O-CG 3.44Å; T1115-K1119 PolarHBondContact O-N 2.88Å; T1115-K1119 VanDerWaalsContact O-N 3.07Å; T1115-M1186 HydrophobicContact CG2-CE 4.21Å; T1115-Q1193 PolarHBondContact OG1-NE2 3.34Å; T1115-Q1193 PolarHBondContact OG1-OE1 2.79Å
1116	L	87.2	Confident	87.7	Confident	109 Å²	109	61.4 Å²	61.4	57%	0.571	30%	0.302	S	S	*	.	H	α-helix	trans	-65.4	-42.8	172.9	-177.7	62.4	0	0	0	111.8	E1112 Q1113 K1119 L1120	E1112-L1116 WeakPolarHBondContact O-CB 3.32Å; E1112-L1116 PolarHBondContact O-N 3.2Å; Q1113-L1116 PolarHBondContact O-N 3.02Å; L1116-K1119 PolarHBondContact O-N 2.93Å; L1116-L1120 HydrophobicContact CG-CD1 4.37Å; L1116-L1120 WeakPolarHBondContact O-CG 3.49Å; L1116-L1120 PolarHBondContact O-N 3.37Å
1117	Q	85.9	Confident	87.4	Confident	94 Å²	94	65.5 Å²	65.5	44%	0.439	32%	0.319	S	S	.	.	H	α-helix	trans	-61.5	-44	177.2	-177.2	177.6	-4.6	0	0	111.6	Q1113 Q1114 L1120 I1121	Q1113-Q1117 WeakPolarHBondContact O-CB 3.15Å; Q1113-Q1117 PolarHBondContact O-N 2.84Å; Q1114-Q1117 PolarHBondContact O-N 2.67Å; Q1117-L1120 PolarHBondContact O-N 2.85Å; Q1117-I1121 HydrophobicContact CG-CD1 4.23Å; Q1117-I1121 WeakPolarHBondContact O-CD1 3.34Å; Q1117-I1121 WeakPolarHBondContact O-CG1 3.4Å; Q1117-I1121 PolarHBondContact O-N 2.82Å; Q1117-I1121 VanDerWaalsContact O-N 3.14Å
1118	L	87.9	Confident	87.1	Confident	7 Å²	7	70.8 Å²	70.8	4%	0.037	34%	0.343	C	S	.	.	H	α-helix	trans	-64.9	-43.8	177.5	-173.7	58.6	0	0	0	111.8	V965 Q1114 L1120 I1121 H1122 E1185 M1186 L1189	V965-L1118 HydrophobicContact CG2-CB 4.45Å; Q1114-L1118 PolarHBondContact O-N 2.87Å; L1118-L1120 VanDerWaalsContact C-N 3.32Å; L1118-L1120 PolarHBondContact O-N 3.18Å; L1118-I1121 WeakPolarHBondContact O-CA 3.4Å; L1118-I1121 WeakPolarHBondContact O-CB 3.41Å; L1118-I1121 PolarHBondContact O-N 3.38Å; L1118-H1122 PolarHBondContact O-N 3.3Å; L1118-E1185 HydrophobicContact CD1-CB 4.48Å; L1118-E1185 HydrophobicContact CD2-CB 4.39Å; L1118-E1185 WeakPolarHBondContact CD2-O 3.45Å; L1118-M1186 HydrophobicContact CD2-SD 3.84Å; L1118-M1186 HydrophobicContact CG-SD 4.33Å; L1118-L1189 HydrophobicContact CB-CD2 4.15Å; L1118-L1189 HydrophobicContact CD2-CB 4.01Å; L1118-L1189 HydrophobicContact CD2-CD2 3.67Å; L1118-L1189 HydrophobicContact CD2-CG 4.47Å
1119	K	87.1	Confident	86.9	Confident	117 Å²	117	69.9 Å²	69.9	51%	0.509	33%	0.334	S	S	.	.	H	α-helix	trans	-59.3	-39.1	175.3	-75.2	171	179	175	0	112.7	T1115 L1116 I1121 H1122 E1123 M1186	T1115-K1119 HydrophobicContact CG2-CD 4.15Å; T1115-K1119 WeakPolarHBondContact O-CB 3.43Å; T1115-K1119 VanDerWaalsContact O-CG 3.31Å; T1115-K1119 WeakPolarHBondContact O-CG 3.44Å; T1115-K1119 PolarHBondContact O-N 2.88Å; T1115-K1119 VanDerWaalsContact O-N 3.07Å; L1116-K1119 PolarHBondContact O-N 2.93Å; K1119-I1121 VanDerWaalsContact C-N 3.35Å; K1119-I1121 PolarHBondContact O-N 3.26Å; K1119-H1122 PolarHBondContact O-N 3.47Å; K1119-E1123 WeakPolarHBondContact O-CB 3.38Å; K1119-E1123 PolarHBondContact O-N 3.04Å; K1119-M1186 HydrophobicContact CG-SD 4.47Å
1120	L	84.6	Confident	86.4	Confident	102 Å²	102	73.8 Å²	73.8	53%	0.534	34%	0.341	S	S	.	.	H	α-helix	trans	-65.5	-35.1	173.7	-72.2	168	0	0	0	112.8	L1116 Q1117 L1118 R1124	L1116-L1120 HydrophobicContact CG-CD1 4.37Å; L1116-L1120 WeakPolarHBondContact O-CG 3.49Å; L1116-L1120 PolarHBondContact O-N 3.37Å; Q1117-L1120 PolarHBondContact O-N 2.85Å; L1118-L1120 VanDerWaalsContact C-N 3.32Å; L1118-L1120 PolarHBondContact O-N 3.18Å; L1120-R1124 WeakPolarHBondContact O-CB 3.45Å; L1120-R1124 PolarHBondContact O-N 3.42Å
1121	I	85.4	Confident	86.1	Confident	37 Å²	37	75.8 Å²	75.8	19%	0.19	36%	0.359	C	S	.	.	H	α-helix	trans	-67.8	-44.2	174.3	-67.8	161.1	0	0	0	110.5	L964 Q1117 L1118 K1119 R1124 Q1125	L964-I1121 HydrophobicContact CB-CD1 4.42Å; L964-I1121 HydrophobicContact CD1-CG2 4.49Å; L964-I1121 HydrophobicContact CD2-CD1 4.37Å; Q1117-I1121 HydrophobicContact CG-CD1 4.23Å; Q1117-I1121 WeakPolarHBondContact O-CD1 3.34Å; Q1117-I1121 WeakPolarHBondContact O-CG1 3.4Å; Q1117-I1121 PolarHBondContact O-N 2.82Å; Q1117-I1121 VanDerWaalsContact O-N 3.14Å; L1118-I1121 WeakPolarHBondContact O-CA 3.4Å; L1118-I1121 WeakPolarHBondContact O-CB 3.41Å; L1118-I1121 PolarHBondContact O-N 3.38Å; K1119-I1121 VanDerWaalsContact C-N 3.35Å; K1119-I1121 PolarHBondContact O-N 3.26Å; I1121-R1124 PolarHBondContact O-N 3.01Å; I1121-Q1125 WeakPolarHBondContact O-CG 3.19Å; I1121-Q1125 PolarHBondContact O-N 2.54Å
1122	H	90.9	Very high	85.7	Confident	16 Å²	16	78.6 Å²	78.6	7%	0.074	38%	0.375	C	S	.	.	H	α-helix	trans	-62.4	-41.2	175.8	-66.4	172.1	0	0	0	112.5	L1118 K1119 Q1125 S1126 H1182 E1185	L1118-H1122 PolarHBondContact O-N 3.3Å; K1119-H1122 PolarHBondContact O-N 3.47Å; H1122-Q1125 PolarHBondContact O-N 3.37Å; H1122-S1126 VanDerWaalsContact O-CB 3.3Å; H1122-S1126 WeakPolarHBondContact O-CB 3.47Å; H1122-S1126 PolarHBondContact O-N 3.45Å; H1122-S1126 PolarHBondContact O-OG 2.78Å; H1122-H1182 AromaticContact CD2-CD2 3.13Å; H1122-H1182 PolarHBondContact CD2-CD2 2.96Å; H1122-H1182 AromaticContact CD2-CG 3.63Å; H1122-H1182 AromaticContact CD2-NE2 3.59Å; H1122-H1182 PolarHBondContact CE1-O 3.43Å; H1122-H1182 VanDerWaalsContact CE1-O 3.31Å; H1122-H1182 AromaticContact CG-CD2 3.57Å; H1122-H1182 AromaticContact CG-CG 3.58Å; H1122-H1182 AromaticContact CG-NE2 3.96Å; H1122-H1182 AromaticContact ND1-CG 3.9Å; H1122-H1182 AromaticContact NE2-CD2 3.5Å; H1122-H1182 AromaticContact NE2-CG 3.93Å; H1122-H1182 PolarHBondContact O-CE1 3.25Å; H1122-E1185 IonicContact CD2-OE2 3.67Å; H1122-E1185 PolarHBondContact CD2-OE2 3.2Å; H1122-E1185 IonicContact CE1-OE2 2.71Å; H1122-E1185 IonicContact NE2-OE2 3.6Å; H1122-E1185 PolarHBondContact NE2-OE2 3.33Å
1123	E	86.6	Confident	85.1	Confident	88 Å²	88	75.9 Å²	75.9	41%	0.411	36%	0.362	S	S	.	.	H	α-helix	trans	-66	-40.7	176.7	-156.2	-130.8	-179.1	0	0	111.7	K1119 S1126 K1127	K1119-E1123 WeakPolarHBondContact O-CB 3.38Å; K1119-E1123 PolarHBondContact O-N 3.04Å; E1123-S1126 PolarHBondContact O-N 2.94Å; E1123-K1127 VanDerWaalsContact CD-CE 3.42Å; E1123-K1127 WeakPolarHBondContact O-CG 3.32Å; E1123-K1127 PolarHBondContact O-N 2.92Å; E1123-K1127 WeakPolarHBondContact OE1-CE 3.3Å; E1123-K1127 IonicContact OE1-NZ 2.7Å; E1123-K1127 PolarHBondContact OE1-NZ 2.79Å; E1123-K1127 WeakPolarHBondContact OE2-CE 3.23Å; E1123-K1127 IonicContact OE2-NZ 3.64Å; E1123-K1127 PolarHBondContact OE2-NZ 3.48Å
1124	R	87.8	Confident	84.6	Confident	184 Å²	184	72.3 Å²	72.3	69%	0.694	36%	0.355	S	S	*	.	H	α-helix	trans	-62.1	-48.4	174.5	-175.7	176.7	-179.2	158.4	1.8	112.2	L1120 I1121 S1126 K1127 E1128	L1120-R1124 WeakPolarHBondContact O-CB 3.45Å; L1120-R1124 PolarHBondContact O-N 3.42Å; I1121-R1124 PolarHBondContact O-N 3.01Å; R1124-S1126 VanDerWaalsContact C-N 3.28Å; R1124-S1126 PolarHBondContact O-N 2.98Å; R1124-K1127 PolarHBondContact O-N 3.35Å; R1124-K1127 VanDerWaalsContact O-N 3.17Å; R1124-E1128 PolarHBondContact O-N 2.93Å
1125	Q	86.8	Confident	84.4	Confident	48 Å²	48	77.4 Å²	77.4	22%	0.224	38%	0.377	C	S	.	.	H	α-helix	trans	-59.7	-40	175.1	-69.6	175.3	21.6	0	0	111.3	I1121 H1122 K1127 E1128 M1129 H1182	I1121-Q1125 WeakPolarHBondContact O-CG 3.19Å; I1121-Q1125 PolarHBondContact O-N 2.54Å; H1122-Q1125 PolarHBondContact O-N 3.37Å; Q1125-K1127 VanDerWaalsContact C-N 3.35Å; Q1125-K1127 PolarHBondContact O-N 3.46Å; Q1125-E1128 PolarHBondContact O-N 3.3Å; Q1125-M1129 WeakPolarHBondContact O-CB 2.96Å; Q1125-M1129 PolarHBondContact O-N 3.49Å; Q1125-H1182 PolarHBondContact OE1-NE2 3.19Å
1126	S	83.6	Confident	83.7	Confident	30 Å²	30	81.5 Å²	81.5	21%	0.21	40%	0.395	C	S	.	.	H	α-helix	trans	-69.1	-28.4	177.2	-61.2	0	0	0	0	113.6	H1122 E1123 R1124 R1130	H1122-S1126 VanDerWaalsContact O-CB 3.3Å; H1122-S1126 WeakPolarHBondContact O-CB 3.47Å; H1122-S1126 PolarHBondContact O-N 3.45Å; H1122-S1126 PolarHBondContact O-OG 2.78Å; E1123-S1126 PolarHBondContact O-N 2.94Å; R1124-S1126 VanDerWaalsContact C-N 3.28Å; R1124-S1126 PolarHBondContact O-N 2.98Å; S1126-R1130 WeakPolarHBondContact O-CG 3.42Å; S1126-R1130 PolarHBondContact O-NE 2.98Å
1127	K	84.4	Confident	83	Confident	110 Å²	110	78.6 Å²	78.6	48%	0.478	38%	0.384	S	S	.	.	H	α-helix	trans	-73.5	-44.1	170.6	-78.2	166.8	170	165.7	0	111.1	E1123 R1124 Q1125 R1130 A1131	E1123-K1127 VanDerWaalsContact CD-CE 3.42Å; E1123-K1127 WeakPolarHBondContact O-CG 3.32Å; E1123-K1127 PolarHBondContact O-N 2.92Å; E1123-K1127 WeakPolarHBondContact OE1-CE 3.3Å; E1123-K1127 IonicContact OE1-NZ 2.7Å; E1123-K1127 PolarHBondContact OE1-NZ 2.79Å; E1123-K1127 WeakPolarHBondContact OE2-CE 3.23Å; E1123-K1127 IonicContact OE2-NZ 3.64Å; E1123-K1127 PolarHBondContact OE2-NZ 3.48Å; R1124-K1127 PolarHBondContact O-N 3.35Å; R1124-K1127 VanDerWaalsContact O-N 3.17Å; Q1125-K1127 VanDerWaalsContact C-N 3.35Å; Q1125-K1127 PolarHBondContact O-N 3.46Å; K1127-R1130 PolarHBondContact O-N 3.03Å; K1127-A1131 PolarHBondContact O-N 2.96Å
1128	E	85.3	Confident	82.5	Confident	115 Å²	115	79.7 Å²	79.7	54%	0.537	39%	0.391	S	S	.	.	H	α-helix	trans	-65.7	-42.4	179.6	-173.3	170.1	173.8	0	0	112.8	R1124 Q1125 R1130 A1131 N1132	R1124-E1128 PolarHBondContact O-N 2.93Å; Q1125-E1128 PolarHBondContact O-N 3.3Å; E1128-R1130 PolarHBondContact O-N 3.29Å; E1128-A1131 PolarHBondContact O-N 2.73Å; E1128-N1132 PolarHBondContact O-N 3.07Å; E1128-N1132 PolarHBondContact O-ND2 3.48Å
1129	M	84.9	Confident	81.9	Confident	32 Å²	32	84 Å²	84	16%	0.158	41%	0.41	C	S	.	.	H	α-helix	trans	-59.5	-44	174.7	-177.6	-83.9	-76.2	0	0	111.8	Q1125 N1132 Q1133 F1171 E1174 R1175 L1178	Q1125-M1129 WeakPolarHBondContact O-CB 2.96Å; Q1125-M1129 PolarHBondContact O-N 3.49Å; M1129-N1132 PolarHBondContact O-N 2.76Å; M1129-Q1133 WeakPolarHBondContact O-CB 3.3Å; M1129-Q1133 PolarHBondContact O-N 2.77Å; M1129-F1171 HydrophobicContact CE-CE2 3.96Å; M1129-F1171 HydrophobicContact SD-CD2 3.93Å; M1129-F1171 HydrophobicContact SD-CE2 3.66Å; M1129-E1174 HydrophobicContact CG-CG 4.47Å; M1129-R1175 HydrophobicContact CE-CB 4.21Å; M1129-R1175 HydrophobicContact CE-CG 4.18Å; M1129-L1178 HydrophobicContact CB-CD2 4.04Å; M1129-L1178 HydrophobicContact CE-CD2 4.1Å; M1129-L1178 HydrophobicContact CG-CD2 4.24Å
1130	R	80.2	Confident	81.3	Confident	131 Å²	131	80.8 Å²	80.8	49%	0.494	40%	0.399	S	S	.	.	H	α-helix	trans	-63.9	-38.7	174.5	-77.1	-179.6	-78.5	-178.5	-5.1	112.7	S1126 K1127 E1128 Q1133 A1134	S1126-R1130 WeakPolarHBondContact O-CG 3.42Å; S1126-R1130 PolarHBondContact O-NE 2.98Å; K1127-R1130 PolarHBondContact O-N 3.03Å; E1128-R1130 PolarHBondContact O-N 3.29Å; R1130-Q1133 PolarHBondContact O-N 3.07Å; R1130-A1134 PolarHBondContact O-N 2.69Å
1131	A	82.1	Confident	80.5	Confident	59 Å²	59	78.8 Å²	78.8	49%	0.488	39%	0.393	S	S	.	.	H	α-helix	trans	-65.3	-43.1	175.4	0	0	0	0	0	112.2	K1127 E1128 A1134 K1135	K1127-A1131 PolarHBondContact O-N 2.96Å; E1128-A1131 PolarHBondContact O-N 2.73Å; A1131-A1134 PolarHBondContact O-N 2.68Å; A1131-K1135 PolarHBondContact O-N 3.07Å
1132	N	79.9	Confident	80.1	Confident	83 Å²	83	82.4 Å²	82.4	44%	0.444	41%	0.408	S	S	.	.	H	α-helix	trans	-66.2	-38.1	176.3	-74.6	-34.3	0	0	0	112.3	E1128 M1129 K1135 M1136	E1128-N1132 PolarHBondContact O-N 3.07Å; E1128-N1132 PolarHBondContact O-ND2 3.48Å; M1129-N1132 PolarHBondContact O-N 2.76Å; N1132-K1135 PolarHBondContact O-N 3.02Å; N1132-M1136 WeakPolarHBondContact O-CG 3.31Å; N1132-M1136 PolarHBondContact O-N 3.24Å
1133	Q	75.7	Confident	79.3	Confident	70 Å²	70	84.5 Å²	84.5	33%	0.327	43%	0.428	S	S	.	.	H	α-helix	trans	-58.5	-49.2	171.4	-175.6	-160.8	12.5	0	0	111.6	M1129 R1130 K1135 M1136 S1137 F1171	M1129-Q1133 WeakPolarHBondContact O-CB 3.3Å; M1129-Q1133 PolarHBondContact O-N 2.77Å; R1130-Q1133 PolarHBondContact O-N 3.07Å; Q1133-K1135 VanDerWaalsContact C-N 3.33Å; Q1133-K1135 PolarHBondContact O-N 3.23Å; Q1133-M1136 PolarHBondContact O-N 3.44Å; Q1133-S1137 WeakPolarHBondContact O-CB 3.41Å; Q1133-S1137 PolarHBondContact O-N 3.34Å; Q1133-F1171 HydrophobicContact CG-CD2 3.98Å; Q1133-F1171 HydrophobicContact CG-CG 4.44Å
1134	A	76.1	Confident	78.6	Confident	52 Å²	52	81.3 Å²	81.3	43%	0.43	41%	0.413	S	S	.	.	H	α-helix	trans	-59.9	-43.6	178.8	0	0	0	0	0	111.6	R1130 A1131 S1137 M1138	R1130-A1134 PolarHBondContact O-N 2.69Å; A1131-A1134 PolarHBondContact O-N 2.68Å; A1134-S1137 PolarHBondContact O-N 3.01Å; A1134-M1138 WeakPolarHBondContact O-CG 3.47Å; A1134-M1138 PolarHBondContact O-N 2.85Å
1135	K	82.3	Confident	77.6	Confident	115 Å²	115	76.2 Å²	76.2	50%	0.5	41%	0.406	S	S	.	.	H	α-helix	trans	-59.5	-52.5	175.6	-176.6	-177.6	171.2	-172.8	0	112.2	A1131 N1132 Q1133 S1137 M1138 E1139	A1131-K1135 PolarHBondContact O-N 3.07Å; N1132-K1135 PolarHBondContact O-N 3.02Å; Q1133-K1135 VanDerWaalsContact C-N 3.33Å; Q1133-K1135 PolarHBondContact O-N 3.23Å; K1135-S1137 VanDerWaalsContact C-N 3.3Å; K1135-S1137 PolarHBondContact O-N 3.32Å; K1135-M1138 PolarHBondContact O-N 2.94Å; K1135-E1139 WeakPolarHBondContact CE-OE1 3.31Å; K1135-E1139 WeakPolarHBondContact O-CG 3.49Å; K1135-E1139 PolarHBondContact O-N 2.85Å
1136	M	74	Confident	76.9	Confident	112 Å²	112	80.8 Å²	80.8	55%	0.552	43%	0.427	S	S	*	.	H	α-helix	trans	-61.6	-37.6	178.5	-70.8	-158.3	-56.1	0	0	112.4	N1132 Q1133 E1139 N1140	N1132-M1136 WeakPolarHBondContact O-CG 3.31Å; N1132-M1136 PolarHBondContact O-N 3.24Å; Q1133-M1136 PolarHBondContact O-N 3.44Å; M1136-E1139 PolarHBondContact O-N 3.14Å; M1136-N1140 VanDerWaalsContact O-CB 3.27Å; M1136-N1140 WeakPolarHBondContact O-CB 3.44Å; M1136-N1140 VanDerWaalsContact O-CG 3.3Å; M1136-N1140 PolarHBondContact O-N 3.04Å; M1136-N1140 PolarHBondContact O-ND2 3.15Å
1137	S	70.6	Confident	76.3	Confident	48 Å²	48	81.8 Å²	81.8	34%	0.336	43%	0.43	S	S	.	.	H	α-helix	trans	-63.2	-41.3	176.6	-169.8	0	0	0	0	112	Q1133 A1134 K1135 S1141	Q1133-S1137 WeakPolarHBondContact O-CB 3.41Å; Q1133-S1137 PolarHBondContact O-N 3.34Å; A1134-S1137 PolarHBondContact O-N 3.01Å; K1135-S1137 VanDerWaalsContact C-N 3.3Å; K1135-S1137 PolarHBondContact O-N 3.32Å; S1137-S1141 WeakPolarHBondContact O-CB 3.37Å; S1137-S1141 PolarHBondContact O-N 3.3Å; S1137-S1141 PolarHBondContact O-OG 2.73Å
1138	M	75.5	Confident	75.7	Confident	117 Å²	117	86 Å²	86	58%	0.576	45%	0.449	S	S	*	.	H	α-helix	trans	-65.9	-40.1	173.6	-72	175.3	62.9	0	0	112.7	A1134 K1135 S1141 K1142	A1134-M1138 WeakPolarHBondContact O-CG 3.47Å; A1134-M1138 PolarHBondContact O-N 2.85Å; K1135-M1138 PolarHBondContact O-N 2.94Å; M1138-S1141 PolarHBondContact O-N 3.08Å; M1138-K1142 VanDerWaalsContact O-CG 3.29Å; M1138-K1142 WeakPolarHBondContact O-CG 3.29Å; M1138-K1142 PolarHBondContact O-N 3Å
1139	E	76.9	Confident	74.9	Confident	97 Å²	97	83.6 Å²	83.6	45%	0.453	44%	0.444	S	S	.	.	H	α-helix	trans	-69.5	-44	179.6	-73.2	169.1	174.9	0	0	111.6	K1135 M1136 S1141 K1142 A1143	K1135-E1139 WeakPolarHBondContact CE-OE1 3.31Å; K1135-E1139 WeakPolarHBondContact O-CG 3.49Å; K1135-E1139 PolarHBondContact O-N 2.85Å; M1136-E1139 PolarHBondContact O-N 3.14Å; E1139-S1141 PolarHBondContact O-N 3.46Å; E1139-K1142 WeakPolarHBondContact O-CB 3.3Å; E1139-K1142 PolarHBondContact O-N 3.33Å; E1139-A1143 PolarHBondContact O-N 3.32Å
1140	N	74.3	Confident	74	Confident	50 Å²	50	82.4 Å²	82.4	27%	0.267	44%	0.439	S	S	.	.	H	α-helix	trans	-59.2	-42.7	171.5	-78.9	-30.3	0	0	0	112.7	M1136 K1142 A1143 I1144 L1163 N1167	M1136-N1140 VanDerWaalsContact O-CB 3.27Å; M1136-N1140 WeakPolarHBondContact O-CB 3.44Å; M1136-N1140 VanDerWaalsContact O-CG 3.3Å; M1136-N1140 PolarHBondContact O-N 3.04Å; M1136-N1140 PolarHBondContact O-ND2 3.15Å; N1140-K1142 VanDerWaalsContact C-N 3.34Å; N1140-K1142 PolarHBondContact O-N 2.93Å; N1140-A1143 PolarHBondContact O-N 3.36Å; N1140-I1144 PolarHBondContact O-N 2.96Å; N1140-L1163 HydrophobicContact CB-CD2 3.83Å; N1140-N1167 PolarHBondContact ND2-ND2 2.98Å; N1140-N1167 VanDerWaalsContact ND2-ND2 3.14Å; N1140-N1167 PolarHBondContact ND2-OD1 3.25Å
1141	S	68.3	Low	73.3	Confident	60 Å²	60	85.7 Å²	85.7	42%	0.42	46%	0.456	S	S	.	.	H	α-helix	trans	-65.5	-36.7	176.8	-59.3	0	0	0	0	112.2	S1137 M1138 E1139 S1145	S1137-S1141 WeakPolarHBondContact O-CB 3.37Å; S1137-S1141 PolarHBondContact O-N 3.3Å; S1137-S1141 PolarHBondContact O-OG 2.73Å; M1138-S1141 PolarHBondContact O-N 3.08Å; E1139-S1141 PolarHBondContact O-N 3.46Å; S1141-S1145 PolarHBondContact O-N 3.36Å; S1141-S1145 PolarHBondContact O-OG 3.28Å; S1141-S1145 VanDerWaalsContact O-OG 3.05Å
1142	K	76.8	Confident	72.9	Confident	114 Å²	114	88.3 Å²	88.3	50%	0.496	46%	0.462	S	S	.	.	H	α-helix	trans	-64.6	-43.7	172.3	-74.2	168	-177.1	176.3	0	111.2	M1138 E1139 N1140 I1144 S1145 Q1146	M1138-K1142 VanDerWaalsContact O-CG 3.29Å; M1138-K1142 WeakPolarHBondContact O-CG 3.29Å; M1138-K1142 PolarHBondContact O-N 3Å; E1139-K1142 WeakPolarHBondContact O-CB 3.3Å; E1139-K1142 PolarHBondContact O-N 3.33Å; N1140-K1142 VanDerWaalsContact C-N 3.34Å; N1140-K1142 PolarHBondContact O-N 2.93Å; K1142-I1144 PolarHBondContact O-N 3.46Å; K1142-S1145 WeakPolarHBondContact CA-OG 3.49Å; K1142-S1145 PolarHBondContact O-N 3.41Å; K1142-S1145 PolarHBondContact O-OG 2.89Å; K1142-Q1146 WeakPolarHBondContact O-CG 3.39Å; K1142-Q1146 PolarHBondContact O-N 3.04Å; K1142-Q1146 VanDerWaalsContact O-N 3.15Å
1143	A	73.5	Confident	72.6	Confident	59 Å²	59	91.3 Å²	91.3	49%	0.488	47%	0.471	S	S	.	.	H	α-helix	trans	-57.9	-50	178.9	0	0	0	0	0	112.6	E1139 N1140 S1145 Q1146 D1147	E1139-A1143 PolarHBondContact O-N 3.32Å; N1140-A1143 PolarHBondContact O-N 3.36Å; A1143-S1145 VanDerWaalsContact C-N 3.31Å; A1143-S1145 PolarHBondContact O-N 3.23Å; A1143-Q1146 PolarHBondContact O-N 2.86Å; A1143-D1147 PolarHBondContact O-N 3.17Å; A1143-D1147 VanDerWaalsContact O-N 3.17Å
1144	I	70.9	Confident	72.5	Confident	21 Å²	21	90.9 Å²	90.9	11%	0.108	48%	0.48	C	S	.	.	H	α-helix	trans	-63.3	-35.8	178.3	-65.7	179.7	0	0	0	112.3	N1140 K1142 Q1146 D1147 I1150 R1156 R1159 V1160 L1163	N1140-I1144 PolarHBondContact O-N 2.96Å; K1142-I1144 PolarHBondContact O-N 3.46Å; I1144-Q1146 VanDerWaalsContact C-N 3.26Å; I1144-Q1146 PolarHBondContact O-N 3.38Å; I1144-D1147 PolarHBondContact O-N 2.94Å; I1144-I1150 HydrophobicContact CG2-CD1 4.12Å; I1144-R1156 HydrophobicContact CG2-CG 3.94Å; I1144-R1159 HydrophobicContact CD1-CB 4.46Å; I1144-V1160 HydrophobicContact CD1-CG2 4.04Å; I1144-V1160 HydrophobicContact CG2-CG2 3.83Å; I1144-L1163 HydrophobicContact CD1-CB 4.03Å; I1144-L1163 HydrophobicContact CD1-CD2 3.56Å; I1144-L1163 HydrophobicContact CD1-CG 4.43Å; I1144-L1163 HydrophobicContact CG1-CD2 4.13Å
1145	S	66.9	Low	72.4	Confident	77 Å²	77	92.2 Å²	92.2	54%	0.538	48%	0.477	S	S	.	.	H	α-helix	trans	-73.4	-15.8	179	57.3	0	0	0	0	114.1	S1141 K1142 A1143	S1141-S1145 PolarHBondContact O-N 3.36Å; S1141-S1145 PolarHBondContact O-OG 3.28Å; S1141-S1145 VanDerWaalsContact O-OG 3.05Å; K1142-S1145 WeakPolarHBondContact CA-OG 3.49Å; K1142-S1145 PolarHBondContact O-N 3.41Å; K1142-S1145 PolarHBondContact O-OG 2.89Å; A1143-S1145 VanDerWaalsContact C-N 3.31Å; A1143-S1145 PolarHBondContact O-N 3.23Å
1146	Q	72.4	Confident	72	Confident	145 Å²	145	91.5 Å²	91.5	68%	0.678	47%	0.472	S	S	*	.	H	α-helix	trans	-100	-10.3	176.2	-66.6	178.3	5.8	0	0	113.7	K1142 A1143 I1144 K1148	K1142-Q1146 WeakPolarHBondContact O-CG 3.39Å; K1142-Q1146 PolarHBondContact O-N 3.04Å; K1142-Q1146 VanDerWaalsContact O-N 3.15Å; A1143-Q1146 PolarHBondContact O-N 2.86Å; I1144-Q1146 VanDerWaalsContact C-N 3.26Å; I1144-Q1146 PolarHBondContact O-N 3.38Å; Q1146-K1148 PolarHBondContact O-N 3.01Å; Q1146-K1148 VanDerWaalsContact O-N 3.14Å
1147	D	72	Confident	72	Confident	50 Å²	50	90.3 Å²	90.3	27%	0.267	47%	0.465	S	S	.	.			trans	-67.8	108.1	177.6	-175.6	-1.8	0	0	0	111.8	A1143 I1144 S1149 I1150 R1159	A1143-D1147 PolarHBondContact O-N 3.17Å; A1143-D1147 VanDerWaalsContact O-N 3.17Å; I1144-D1147 PolarHBondContact O-N 2.94Å; D1147-S1149 VanDerWaalsContact C-N 3.29Å; D1147-S1149 PolarHBondContact O-N 3.36Å; D1147-S1149 VanDerWaalsContact OD1-CB 3.23Å; D1147-S1149 WeakPolarHBondContact OD1-CB 3.5Å; D1147-S1149 PolarHBondContact OD1-N 3.49Å; D1147-S1149 PolarHBondContact OD1-OG 3.08Å; D1147-S1149 PolarHBondContact OD2-OG 2.82Å; D1147-S1149 VanDerWaalsContact OD2-OG 3.04Å; D1147-I1150 HydrophobicContact CB-CD1 4.01Å; D1147-I1150 HydrophobicContact CB-CG1 4.33Å; D1147-R1159 IonicContact OD2-CZ 3.34Å; D1147-R1159 IonicContact OD2-NH1 3.28Å; D1147-R1159 PolarHBondContact OD2-NH1 3.33Å
1148	K	72	Confident	72.3	Confident	200 Å²	200	95.6 Å²	95.6	87%	0.87	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-8.2	178.9	-61.4	-178.6	-177.1	175.7	0	113.8	Q1146	Q1146-K1148 PolarHBondContact O-N 3.01Å; Q1146-K1148 VanDerWaalsContact O-N 3.14Å
1149	S	68	Low	72.3	Confident	63 Å²	63	94.4 Å²	94.4	44%	0.441	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-27	178.1	72.2	0	0	0	0	113	D1147 K1151	D1147-S1149 VanDerWaalsContact C-N 3.29Å; D1147-S1149 PolarHBondContact O-N 3.36Å; D1147-S1149 VanDerWaalsContact OD1-CB 3.23Å; D1147-S1149 WeakPolarHBondContact OD1-CB 3.5Å; D1147-S1149 PolarHBondContact OD1-N 3.49Å; D1147-S1149 PolarHBondContact OD1-OG 3.08Å; D1147-S1149 PolarHBondContact OD2-OG 2.82Å; D1147-S1149 VanDerWaalsContact OD2-OG 3.04Å; S1149-K1151 PolarHBondContact O-N 2.82Å
1150	I	66.2	Low	72.2	Confident	8 Å²	8	92.4 Å²	92.4	4%	0.041	46%	0.46	C	S	.	.			trans	-79.6	104.5	-175.1	-53.9	171.7	0	0	0	109.8	I1144 D1147 E1155 R1156	I1144-I1150 HydrophobicContact CG2-CD1 4.12Å; D1147-I1150 HydrophobicContact CB-CD1 4.01Å; D1147-I1150 HydrophobicContact CB-CG1 4.33Å; I1150-E1155 HydrophobicContact CG2-CB 3.98Å; I1150-E1155 HydrophobicContact CG2-CG 4.01Å; I1150-R1156 HydrophobicContact CG2-CB 3.78Å
1151	K	64.9	Low	72.1	Confident	199 Å²	199	98 Å²	98	87%	0.865	48%	0.478	S	S	*	.			trans	-89.1	-18.2	-169.7	-69.5	178.4	-175.2	176.4	0	114.6	S1149 E1155	S1149-K1151 PolarHBondContact O-N 2.82Å; K1151-E1155 PolarHBondContact N-OE2 3.4Å
1152	N	73.3	Confident	72.6	Confident	115 Å²	115	99.6 Å²	99.6	62%	0.615	48%	0.478	S	S	*	.	S	Bend	trans	-133.8	151.4	-176.1	-159.7	-7.5	0	0	0	112.8	A1154 E1155 R1156	N1152-A1154 PolarHBondContact O-N 3.44Å; N1152-E1155 PolarHBondContact O-N 2.91Å; N1152-R1156 PolarHBondContact O-N 3.02Å
1153	K	74.2	Confident	72.6	Confident	145 Å²	145	96.5 Å²	96.5	63%	0.63	47%	0.467	S	S	*	.	H	α-helix	trans	-59.1	-47	-174.1	179.9	-179	166.5	-174.4	0	112.5	E1155 R1156 E1157	K1153-E1155 VanDerWaalsContact C-N 3.29Å; K1153-E1155 PolarHBondContact O-N 3.44Å; K1153-R1156 WeakPolarHBondContact O-CB 2.97Å; K1153-R1156 PolarHBondContact O-N 3.37Å; K1153-R1156 VanDerWaalsContact O-N 3.15Å; K1153-E1157 WeakPolarHBondContact CE-OE1 3.31Å; K1153-E1157 IonicContact NZ-OE1 2.6Å; K1153-E1157 PolarHBondContact O-N 3.3Å
1154	A	74.4	Confident	72.6	Confident	62 Å²	62	97 Å²	97	51%	0.512	46%	0.462	S	S	.	.	H	α-helix	trans	-62.6	-34.2	-178.4	0	0	0	0	0	113	N1152 E1157 R1158	N1152-A1154 PolarHBondContact O-N 3.44Å; A1154-E1157 PolarHBondContact O-N 3.43Å; A1154-R1158 WeakPolarHBondContact O-CB 3.41Å; A1154-R1158 PolarHBondContact O-N 2.94Å
1155	E	73.9	Confident	72.8	Confident	79 Å²	79	100.3 Å²	100.3	37%	0.369	49%	0.486	S	S	.	.	H	α-helix	trans	-67.3	-40.2	175.9	-172.1	-172.4	-173.2	0	0	111.3	I1150 K1151 N1152 K1153 R1158 R1159	I1150-E1155 HydrophobicContact CG2-CB 3.98Å; I1150-E1155 HydrophobicContact CG2-CG 4.01Å; K1151-E1155 PolarHBondContact N-OE2 3.4Å; N1152-E1155 PolarHBondContact O-N 2.91Å; K1153-E1155 VanDerWaalsContact C-N 3.29Å; K1153-E1155 PolarHBondContact O-N 3.44Å; E1155-R1158 PolarHBondContact O-N 2.67Å; E1155-R1159 PolarHBondContact O-N 3.46Å; E1155-R1159 IonicContact OE1-NH2 3.85Å
1156	R	73.1	Confident	73.4	Confident	101 Å²	101	99.1 Å²	99.1	38%	0.381	48%	0.477	S	S	.	.	H	α-helix	trans	-63.3	-46.8	173.9	-166.5	171.9	-73.4	149.8	2.5	111.3	I1144 I1150 N1152 K1153 R1158 R1159 V1160	I1144-R1156 HydrophobicContact CG2-CG 3.94Å; I1150-R1156 HydrophobicContact CG2-CB 3.78Å; N1152-R1156 PolarHBondContact O-N 3.02Å; K1153-R1156 WeakPolarHBondContact O-CB 2.97Å; K1153-R1156 PolarHBondContact O-N 3.37Å; K1153-R1156 VanDerWaalsContact O-N 3.15Å; R1156-R1158 PolarHBondContact O-N 2.83Å; R1156-R1159 PolarHBondContact O-N 2.87Å; R1156-V1160 WeakPolarHBondContact O-CG2 3.44Å; R1156-V1160 PolarHBondContact O-N 2.98Å
1157	E	73.5	Confident	73.6	Confident	87 Å²	87	93.7 Å²	93.7	41%	0.407	45%	0.453	S	S	.	.	H	α-helix	trans	-67.1	-24.1	178.1	-71.4	173.9	173.1	0	0	113.4	K1153 A1154 R1161	K1153-E1157 WeakPolarHBondContact CE-OE1 3.31Å; K1153-E1157 IonicContact NZ-OE1 2.6Å; K1153-E1157 PolarHBondContact O-N 3.3Å; A1154-E1157 PolarHBondContact O-N 3.43Å; E1157-R1161 WeakPolarHBondContact O-CG 3.45Å; E1157-R1161 PolarHBondContact O-N 2.84Å; E1157-R1161 PolarHBondContact O-NE 2.93Å
1158	R	78.3	Confident	73.7	Confident	159 Å²	159	95 Å²	95	60%	0.6	46%	0.463	S	S	*	.	H	α-helix	trans	-72.2	-54.7	169.3	-179.3	177.6	169.9	169.5	1.2	111.1	A1154 E1155 R1156 V1160 R1161 E1162	A1154-R1158 WeakPolarHBondContact O-CB 3.41Å; A1154-R1158 PolarHBondContact O-N 2.94Å; E1155-R1158 PolarHBondContact O-N 2.67Å; R1156-R1158 PolarHBondContact O-N 2.83Å; R1158-V1160 VanDerWaalsContact C-N 3.29Å; R1158-V1160 PolarHBondContact O-N 2.96Å; R1158-R1161 PolarHBondContact O-N 3.23Å; R1158-E1162 HydrophobicContact CG-CG 4.45Å; R1158-E1162 IonicContact CZ-OE1 2.83Å; R1158-E1162 VanDerWaalsContact CZ-OE1 3.25Å; R1158-E1162 IonicContact NE-OE1 3.31Å; R1158-E1162 PolarHBondContact NE-OE1 2.91Å; R1158-E1162 IonicContact NE-OE2 2.72Å; R1158-E1162 IonicContact NH2-OE1 2.95Å; R1158-E1162 PolarHBondContact NH2-OE1 3.1Å; R1158-E1162 PolarHBondContact O-N 3.49Å
1159	R	74.6	Confident	74.1	Confident	92 Å²	92	92 Å²	92	35%	0.347	45%	0.45	S	S	.	.	H	α-helix	trans	-60	-35.5	179.3	-73.7	-163.9	-169	171	9.4	113.1	I1144 D1147 E1155 R1156 E1162 L1163	I1144-R1159 HydrophobicContact CD1-CB 4.46Å; D1147-R1159 IonicContact OD2-CZ 3.34Å; D1147-R1159 IonicContact OD2-NH1 3.28Å; D1147-R1159 PolarHBondContact OD2-NH1 3.33Å; E1155-R1159 PolarHBondContact O-N 3.46Å; E1155-R1159 IonicContact OE1-NH2 3.85Å; R1156-R1159 PolarHBondContact O-N 2.87Å; R1159-E1162 PolarHBondContact O-N 3.48Å; R1159-L1163 WeakPolarHBondContact O-CB 3.42Å; R1159-L1163 PolarHBondContact O-N 3.17Å
1160	V	74.3	Confident	74.7	Confident	54 Å²	54	95.4 Å²	95.4	33%	0.327	46%	0.457	S	S	.	.	H	α-helix	trans	-63.1	-43.3	173.5	171.4	0	0	0	0	111.3	I1144 R1156 R1158 N1164	I1144-V1160 HydrophobicContact CD1-CG2 4.04Å; I1144-V1160 HydrophobicContact CG2-CG2 3.83Å; R1156-V1160 WeakPolarHBondContact O-CG2 3.44Å; R1156-V1160 PolarHBondContact O-N 2.98Å; R1158-V1160 VanDerWaalsContact C-N 3.29Å; R1158-V1160 PolarHBondContact O-N 2.96Å; V1160-N1164 VanDerWaalsContact O-CB 3.23Å; V1160-N1164 WeakPolarHBondContact O-CB 3.29Å; V1160-N1164 PolarHBondContact O-N 3.42Å
1161	R	73.6	Confident	75.3	Confident	169 Å²	169	97.2 Å²	97.2	64%	0.638	46%	0.464	S	S	*	.	H	α-helix	trans	-66.1	-43.2	176.6	-81.7	179.6	-78.5	173.6	-10.3	112.4	E1157 R1158 N1164 C1165	E1157-R1161 WeakPolarHBondContact O-CG 3.45Å; E1157-R1161 PolarHBondContact O-N 2.84Å; E1157-R1161 PolarHBondContact O-NE 2.93Å; R1158-R1161 PolarHBondContact O-N 3.23Å; R1161-N1164 PolarHBondContact O-N 3.19Å; R1161-C1165 WeakPolarHBondContact O-CB 3.23Å; R1161-C1165 PolarHBondContact O-N 2.8Å
1162	E	78.3	Confident	75.9	Confident	92 Å²	92	91.7 Å²	91.7	43%	0.43	44%	0.444	S	S	.	.	H	α-helix	trans	-63	-44.7	177.2	-70.6	169.3	161	0	0	111.6	R1158 R1159 C1165 S1166	R1158-E1162 HydrophobicContact CG-CG 4.45Å; R1158-E1162 IonicContact CZ-OE1 2.83Å; R1158-E1162 VanDerWaalsContact CZ-OE1 3.25Å; R1158-E1162 IonicContact NE-OE1 3.31Å; R1158-E1162 PolarHBondContact NE-OE1 2.91Å; R1158-E1162 IonicContact NE-OE2 2.72Å; R1158-E1162 IonicContact NH2-OE1 2.95Å; R1158-E1162 PolarHBondContact NH2-OE1 3.1Å; R1158-E1162 PolarHBondContact O-N 3.49Å; R1159-E1162 PolarHBondContact O-N 3.48Å; E1162-C1165 PolarHBondContact O-N 3.3Å; E1162-S1166 PolarHBondContact O-N 3.43Å
1163	L	76.1	Confident	76.4	Confident	49 Å²	49	90.3 Å²	90.3	26%	0.257	44%	0.437	S	S	.	.	H	α-helix	trans	-70.8	-37.2	177.6	-172.7	57.7	0	0	0	112.6	N1140 I1144 R1159 S1166 N1167	N1140-L1163 HydrophobicContact CB-CD2 3.83Å; I1144-L1163 HydrophobicContact CD1-CB 4.03Å; I1144-L1163 HydrophobicContact CD1-CD2 3.56Å; I1144-L1163 HydrophobicContact CD1-CG 4.43Å; I1144-L1163 HydrophobicContact CG1-CD2 4.13Å; R1159-L1163 WeakPolarHBondContact O-CB 3.42Å; R1159-L1163 PolarHBondContact O-N 3.17Å; L1163-S1166 PolarHBondContact O-N 2.81Å; L1163-N1167 WeakPolarHBondContact O-CB 3.47Å; L1163-N1167 VanDerWaalsContact O-CG 3.22Å; L1163-N1167 PolarHBondContact O-N 3.27Å; L1163-N1167 PolarHBondContact O-ND2 2.94Å
1164	N	73.1	Confident	76.8	Confident	70 Å²	70	86.8 Å²	86.8	37%	0.374	42%	0.422	S	S	.	.	H	α-helix	trans	-63.6	-42.6	173.8	-75	-6.3	0	0	0	111.3	V1160 R1161 S1166 N1167 T1168	V1160-N1164 VanDerWaalsContact O-CB 3.23Å; V1160-N1164 WeakPolarHBondContact O-CB 3.29Å; V1160-N1164 PolarHBondContact O-N 3.42Å; R1161-N1164 PolarHBondContact O-N 3.19Å; N1164-S1166 PolarHBondContact O-N 3.43Å; N1164-N1167 PolarHBondContact O-N 3.07Å; N1164-T1168 WeakPolarHBondContact O-CB 3.29Å; N1164-T1168 PolarHBondContact O-N 3.4Å; N1164-T1168 PolarHBondContact O-OG1 2.82Å; N1164-T1168 VanDerWaalsContact O-OG1 3.08Å
1165	C	76.6	Confident	77.1	Confident	91 Å²	91	90.6 Å²	90.6	62%	0.615	42%	0.423	S	S	*	.	H	α-helix	trans	-59.9	-45.6	173.9	-171.7	0	0	0	0	111.7	R1161 E1162 N1167 T1168 K1169	R1161-C1165 WeakPolarHBondContact O-CB 3.23Å; R1161-C1165 PolarHBondContact O-N 2.8Å; E1162-C1165 PolarHBondContact O-N 3.3Å; C1165-N1167 PolarHBondContact O-N 2.92Å; C1165-T1168 PolarHBondContact O-N 3.2Å; C1165-K1169 PolarHBondContact O-N 3.33Å
1166	S	79.1	Confident	77.5	Confident	51 Å²	51	93.4 Å²	93.4	36%	0.357	43%	0.434	S	S	.	.	H	α-helix	trans	-61.2	-42.4	175.8	-168.3	0	0	0	0	112.9	E1162 L1163 N1164 K1169 K1170	E1162-S1166 PolarHBondContact O-N 3.43Å; L1163-S1166 PolarHBondContact O-N 2.81Å; N1164-S1166 PolarHBondContact O-N 3.43Å; S1166-K1169 PolarHBondContact O-N 3.15Å; S1166-K1170 WeakPolarHBondContact O-CG 3.28Å; S1166-K1170 PolarHBondContact O-N 2.84Å
1167	N	76.2	Confident	78.2	Confident	32 Å²	32	96.4 Å²	96.4	17%	0.171	45%	0.446	C	S	.	.	H	α-helix	trans	-68.4	-39.1	177.9	-72.1	-24.8	0	0	0	112.1	N1140 L1163 N1164 C1165 K1170 F1171	N1140-N1167 PolarHBondContact ND2-ND2 2.98Å; N1140-N1167 VanDerWaalsContact ND2-ND2 3.14Å; N1140-N1167 PolarHBondContact ND2-OD1 3.25Å; L1163-N1167 WeakPolarHBondContact O-CB 3.47Å; L1163-N1167 VanDerWaalsContact O-CG 3.22Å; L1163-N1167 PolarHBondContact O-N 3.27Å; L1163-N1167 PolarHBondContact O-ND2 2.94Å; N1164-N1167 PolarHBondContact O-N 3.07Å; C1165-N1167 PolarHBondContact O-N 2.92Å; N1167-K1170 PolarHBondContact O-N 2.97Å; N1167-F1171 WeakPolarHBondContact O-CB 3.32Å; N1167-F1171 PolarHBondContact O-N 2.98Å
1168	T	74.6	Confident	78.9	Confident	78 Å²	78	93.4 Å²	93.4	48%	0.479	43%	0.433	S	S	.	.	H	α-helix	trans	-62.7	-43.7	173.5	-64.1	0	0	0	0	111.2	N1164 C1165 F1171 L1172	N1164-T1168 WeakPolarHBondContact O-CB 3.29Å; N1164-T1168 PolarHBondContact O-N 3.4Å; N1164-T1168 PolarHBondContact O-OG1 2.82Å; N1164-T1168 VanDerWaalsContact O-OG1 3.08Å; C1165-T1168 PolarHBondContact O-N 3.2Å; T1168-F1171 PolarHBondContact O-N 3.42Å; T1168-L1172 HydrophobicContact CG2-CD1 4.21Å; T1168-L1172 WeakPolarHBondContact O-CG 3.31Å; T1168-L1172 PolarHBondContact O-N 3.15Å
1169	K	81	Confident	79.1	Confident	137 Å²	137	88.6 Å²	88.6	60%	0.596	43%	0.426	S	S	*	.	H	α-helix	trans	-60.1	-52.7	175.7	-175.5	172.6	-179.6	176.1	0	111.6	C1165 S1166 F1171 L1172 D1173	C1165-K1169 PolarHBondContact O-N 3.33Å; S1166-K1169 PolarHBondContact O-N 3.15Å; K1169-F1171 PolarHBondContact O-N 2.95Å; K1169-L1172 PolarHBondContact O-N 2.84Å; K1169-D1173 VanDerWaalsContact O-CG 3.29Å; K1169-D1173 PolarHBondContact O-N 3.45Å
1170	K	78.8	Confident	79.7	Confident	133 Å²	133	89.4 Å²	89.4	58%	0.578	44%	0.436	S	S	*	.	H	α-helix	trans	-56.9	-35.5	177.3	-72.7	175.3	179	178.1	0	113.1	S1166 N1167 E1174	S1166-K1170 WeakPolarHBondContact O-CG 3.28Å; S1166-K1170 PolarHBondContact O-N 2.84Å; N1167-K1170 PolarHBondContact O-N 2.97Å; K1170-E1174 VanDerWaalsContact O-CB 3.32Å; K1170-E1174 WeakPolarHBondContact O-CB 3.45Å; K1170-E1174 PolarHBondContact O-N 2.86Å
1171	F	79.5	Confident	80.4	Confident	46 Å²	46	91.3 Å²	91.3	20%	0.202	44%	0.439	C	S	.	.	H	α-helix	trans	-68.9	-41.7	174.3	167.6	-107.9	0	0	0	112.7	M1129 Q1133 N1167 T1168 K1169 E1174 R1175	M1129-F1171 HydrophobicContact CE-CE2 3.96Å; M1129-F1171 HydrophobicContact SD-CD2 3.93Å; M1129-F1171 HydrophobicContact SD-CE2 3.66Å; Q1133-F1171 HydrophobicContact CG-CD2 3.98Å; Q1133-F1171 HydrophobicContact CG-CG 4.44Å; N1167-F1171 WeakPolarHBondContact O-CB 3.32Å; N1167-F1171 PolarHBondContact O-N 2.98Å; T1168-F1171 PolarHBondContact O-N 3.42Å; K1169-F1171 PolarHBondContact O-N 2.95Å; F1171-E1174 PolarHBondContact O-N 2.73Å; F1171-R1175 WeakPolarHBondContact O-CB 3.39Å; F1171-R1175 PolarHBondContact O-N 3.41Å
1172	L	77.5	Confident	81.2	Confident	84 Å²	84	84.3 Å²	84.3	44%	0.44	41%	0.414	S	S	.	.	H	α-helix	trans	-63.5	-42.9	175.5	-70.1	170.3	0	0	0	111.2	T1168 K1169 R1175 K1176	T1168-L1172 HydrophobicContact CG2-CD1 4.21Å; T1168-L1172 WeakPolarHBondContact O-CG 3.31Å; T1168-L1172 PolarHBondContact O-N 3.15Å; K1169-L1172 PolarHBondContact O-N 2.84Å; L1172-R1175 PolarHBondContact O-N 3.42Å; L1172-K1176 WeakPolarHBondContact O-CB 3.5Å; L1172-K1176 PolarHBondContact O-N 3.18Å
1173	D	83.2	Confident	81.7	Confident	86 Å²	86	85.1 Å²	85.1	46%	0.46	42%	0.418	S	S	.	.	H	α-helix	trans	-61.7	-49.3	176.3	-62.3	-30.4	0	0	0	111.2	K1169 K1176 R1177	K1169-D1173 VanDerWaalsContact O-CG 3.29Å; K1169-D1173 PolarHBondContact O-N 3.45Å; D1173-K1176 PolarHBondContact O-N 3.11Å; D1173-R1177 WeakPolarHBondContact O-CB 3.41Å; D1173-R1177 PolarHBondContact O-N 3.14Å
1174	E	82.3	Confident	82.3	Confident	70 Å²	70	89.8 Å²	89.8	33%	0.327	44%	0.436	S	S	.	.	H	α-helix	trans	-69.2	-34.7	179.1	-175.7	63.5	-176.7	0	0	112.6	M1129 K1170 F1171 R1177 L1178	M1129-E1174 HydrophobicContact CG-CG 4.47Å; K1170-E1174 VanDerWaalsContact O-CB 3.32Å; K1170-E1174 WeakPolarHBondContact O-CB 3.45Å; K1170-E1174 PolarHBondContact O-N 2.86Å; F1171-E1174 PolarHBondContact O-N 2.73Å; E1174-R1177 PolarHBondContact O-N 3.19Å; E1174-R1177 IonicContact OE1-CZ 3.96Å; E1174-R1177 IonicContact OE1-NE 3.13Å; E1174-R1177 IonicContact OE1-NH2 2.75Å; E1174-R1177 PolarHBondContact OE1-NH2 3.35Å; E1174-R1177 IonicContact OE2-CZ 2.91Å; E1174-R1177 IonicContact OE2-NE 3.91Å; E1174-R1177 PolarHBondContact OE2-NE 2.79Å; E1174-R1177 IonicContact OE2-NH2 3.22Å; E1174-R1177 PolarHBondContact OE2-NH2 2.82Å; E1174-L1178 WeakPolarHBondContact O-CB 3.35Å; E1174-L1178 PolarHBondContact O-N 2.99Å
1175	R	82.4	Confident	83	Confident	142 Å²	142	88.5 Å²	88.5	54%	0.536	43%	0.428	S	S	.	.	H	α-helix	trans	-65.4	-40.9	172.5	-170	-177.3	78.9	151.8	4.2	111	M1129 F1171 L1172 L1178 A1179	M1129-R1175 HydrophobicContact CE-CB 4.21Å; M1129-R1175 HydrophobicContact CE-CG 4.18Å; F1171-R1175 WeakPolarHBondContact O-CB 3.39Å; F1171-R1175 PolarHBondContact O-N 3.41Å; L1172-R1175 PolarHBondContact O-N 3.42Å; R1175-L1178 PolarHBondContact O-N 2.84Å; R1175-A1179 WeakPolarHBondContact O-CB 3.45Å; R1175-A1179 PolarHBondContact O-N 3.23Å
1176	K	82.1	Confident	83.5	Confident	139 Å²	139	85.2 Å²	85.2	60%	0.604	40%	0.404	S	S	*	.	H	α-helix	trans	-64.1	-42.7	174.7	-164.2	177.7	-173.1	-178.9	0	110.6	L1172 D1173 A1179 M1180	L1172-K1176 WeakPolarHBondContact O-CB 3.5Å; L1172-K1176 PolarHBondContact O-N 3.18Å; D1173-K1176 PolarHBondContact O-N 3.11Å; K1176-A1179 PolarHBondContact O-N 3.27Å; K1176-M1180 HydrophobicContact CD-CE 4.5Å; K1176-M1180 HydrophobicContact CG-CE 4.3Å; K1176-M1180 HydrophobicContact CG-SD 4.46Å; K1176-M1180 WeakPolarHBondContact O-CB 3.32Å; K1176-M1180 WeakPolarHBondContact O-CG 3.27Å; K1176-M1180 PolarHBondContact O-N 3.47Å
1177	R	87.8	Confident	84	Confident	163 Å²	163	87 Å²	87	62%	0.615	41%	0.406	S	S	*	.	H	α-helix	trans	-62	-43.6	175.6	-165.5	178.6	76.4	98	1.7	112.7	D1173 E1174 K1181	D1173-R1177 WeakPolarHBondContact O-CB 3.41Å; D1173-R1177 PolarHBondContact O-N 3.14Å; E1174-R1177 PolarHBondContact O-N 3.19Å; E1174-R1177 IonicContact OE1-CZ 3.96Å; E1174-R1177 IonicContact OE1-NE 3.13Å; E1174-R1177 IonicContact OE1-NH2 2.75Å; E1174-R1177 PolarHBondContact OE1-NH2 3.35Å; E1174-R1177 IonicContact OE2-CZ 2.91Å; E1174-R1177 IonicContact OE2-NE 3.91Å; E1174-R1177 PolarHBondContact OE2-NE 2.79Å; E1174-R1177 IonicContact OE2-NH2 3.22Å; E1174-R1177 PolarHBondContact OE2-NH2 2.82Å; R1177-K1181 PolarHBondContact O-N 2.65Å
1178	L	87.3	Confident	84.5	Confident	25 Å²	25	90.3 Å²	90.3	13%	0.131	42%	0.421	C	S	.	.	H	α-helix	trans	-68.7	-41.6	178	-171.9	64.2	0	0	0	111.7	M1129 E1174 R1175 K1181 H1182	M1129-L1178 HydrophobicContact CB-CD2 4.04Å; M1129-L1178 HydrophobicContact CE-CD2 4.1Å; M1129-L1178 HydrophobicContact CG-CD2 4.24Å; E1174-L1178 WeakPolarHBondContact O-CB 3.35Å; E1174-L1178 PolarHBondContact O-N 2.99Å; R1175-L1178 PolarHBondContact O-N 2.84Å; L1178-K1181 WeakPolarHBondContact O-CB 3.32Å; L1178-K1181 PolarHBondContact O-N 3.42Å; L1178-K1181 VanDerWaalsContact O-N 3.14Å; L1178-H1182 WeakPolarHBondContact CD1-NE2 3.31Å; L1178-H1182 PolarHBondContact O-N 2.92Å
1179	A	82.4	Confident	85.2	Confident	57 Å²	57	87.1 Å²	87.1	47%	0.471	40%	0.401	S	S	.	.	H	α-helix	trans	-62	-45.8	175	0	0	0	0	0	112.1	R1175 K1176 K1181 H1182 Q1183	R1175-A1179 WeakPolarHBondContact O-CB 3.45Å; R1175-A1179 PolarHBondContact O-N 3.23Å; K1176-A1179 PolarHBondContact O-N 3.27Å; A1179-K1181 PolarHBondContact O-N 2.8Å; A1179-H1182 PolarHBondContact O-N 2.67Å; A1179-Q1183 WeakPolarHBondContact O-CB 3.42Å; A1179-Q1183 PolarHBondContact O-N 3.41Å
1180	M	88.3	Confident	85.5	Confident	110 Å²	110	85.3 Å²	85.3	54%	0.542	39%	0.394	S	S	.	.	H	α-helix	trans	-59.7	-32.2	173	-75.6	174.7	164.7	0	0	112.9	K1176 K1184	K1176-M1180 HydrophobicContact CD-CE 4.5Å; K1176-M1180 HydrophobicContact CG-CE 4.3Å; K1176-M1180 HydrophobicContact CG-SD 4.46Å; K1176-M1180 WeakPolarHBondContact O-CB 3.32Å; K1176-M1180 WeakPolarHBondContact O-CG 3.27Å; K1176-M1180 PolarHBondContact O-N 3.47Å; M1180-K1184 WeakPolarHBondContact O-CG 3.47Å; M1180-K1184 PolarHBondContact O-N 2.85Å
1181	K	89.1	Confident	86	Confident	93 Å²	93	84.8 Å²	84.8	40%	0.404	39%	0.392	S	S	.	.	H	α-helix	trans	-69.8	-49.2	173.8	-175.2	-172.6	165.9	-169.5	0	111.2	R1177 L1178 A1179 Q1183 K1184 E1185	R1177-K1181 PolarHBondContact O-N 2.65Å; L1178-K1181 WeakPolarHBondContact O-CB 3.32Å; L1178-K1181 PolarHBondContact O-N 3.42Å; L1178-K1181 VanDerWaalsContact O-N 3.14Å; A1179-K1181 PolarHBondContact O-N 2.8Å; K1181-Q1183 VanDerWaalsContact C-N 3.31Å; K1181-Q1183 PolarHBondContact O-N 2.62Å; K1181-K1184 PolarHBondContact O-N 2.66Å; K1181-E1185 WeakPolarHBondContact CE-OE1 3.32Å; K1181-E1185 IonicContact NZ-OE1 3.25Å; K1181-E1185 PolarHBondContact NZ-OE1 2.82Å; K1181-E1185 PolarHBondContact O-N 2.67Å
1182	H	90.2	Very high	86.3	Confident	23 Å²	23	84.6 Å²	84.6	11%	0.106	39%	0.393	C	S	.	.	H	α-helix	trans	-61.7	-40.1	180	-66.5	166.3	0	0	0	111.8	H1122 Q1125 L1178 A1179 E1185 M1186	H1122-H1182 AromaticContact CD2-CD2 3.13Å; H1122-H1182 PolarHBondContact CD2-CD2 2.96Å; H1122-H1182 AromaticContact CD2-CG 3.63Å; H1122-H1182 AromaticContact CD2-NE2 3.59Å; H1122-H1182 PolarHBondContact CE1-O 3.43Å; H1122-H1182 VanDerWaalsContact CE1-O 3.31Å; H1122-H1182 AromaticContact CG-CD2 3.57Å; H1122-H1182 AromaticContact CG-CG 3.58Å; H1122-H1182 AromaticContact CG-NE2 3.96Å; H1122-H1182 AromaticContact ND1-CG 3.9Å; H1122-H1182 AromaticContact NE2-CD2 3.5Å; H1122-H1182 AromaticContact NE2-CG 3.93Å; H1122-H1182 PolarHBondContact O-CE1 3.25Å; Q1125-H1182 PolarHBondContact OE1-NE2 3.19Å; L1178-H1182 WeakPolarHBondContact CD1-NE2 3.31Å; L1178-H1182 PolarHBondContact O-N 2.92Å; A1179-H1182 PolarHBondContact O-N 2.67Å; H1182-E1185 IonicContact CD2-OE2 3.78Å; H1182-E1185 PolarHBondContact O-N 3.17Å; H1182-M1186 WeakPolarHBondContact O-CG 3.48Å; H1182-M1186 PolarHBondContact O-N 3.32Å
1183	Q	87.8	Confident	86.9	Confident	108 Å²	108	81.6 Å²	81.6	51%	0.505	38%	0.377	S	S	.	.	H	α-helix	trans	-56.6	-52.2	173	-176.1	60.5	27.9	0	0	111.6	A1179 K1181 E1185 M1186 E1187	A1179-Q1183 WeakPolarHBondContact O-CB 3.42Å; A1179-Q1183 PolarHBondContact O-N 3.41Å; K1181-Q1183 VanDerWaalsContact C-N 3.31Å; K1181-Q1183 PolarHBondContact O-N 2.62Å; Q1183-E1185 VanDerWaalsContact C-N 3.34Å; Q1183-E1185 PolarHBondContact O-N 2.81Å; Q1183-M1186 WeakPolarHBondContact O-CB 3.23Å; Q1183-M1186 PolarHBondContact O-N 2.98Å; Q1183-M1186 VanDerWaalsContact O-N 3.14Å; Q1183-E1187 VanDerWaalsContact CG-OE1 3.26Å; Q1183-E1187 WeakPolarHBondContact CG-OE1 3.34Å; Q1183-E1187 PolarHBondContact NE2-OE1 3.48Å; Q1183-E1187 WeakPolarHBondContact O-CG 3.36Å; Q1183-E1187 PolarHBondContact O-N 3.07Å
1184	K	89.3	Confident	87.1	Confident	147 Å²	147	81.5 Å²	81.5	64%	0.639	38%	0.38	S	S	*	.	H	α-helix	trans	-66	-31.7	178.5	-71.6	-175.7	177.6	-165.7	0	114.1	M1180 K1181 Q1188	M1180-K1184 WeakPolarHBondContact O-CG 3.47Å; M1180-K1184 PolarHBondContact O-N 2.85Å; K1181-K1184 PolarHBondContact O-N 2.66Å; K1184-Q1188 VanDerWaalsContact O-CB 3.26Å; K1184-Q1188 WeakPolarHBondContact O-CB 3.49Å; K1184-Q1188 PolarHBondContact O-N 3.45Å; K1184-Q1188 VanDerWaalsContact O-N 3.11Å
1185	E	88.4	Confident	87.4	Confident	43 Å²	43	82 Å²	82	20%	0.201	38%	0.382	C	S	.	.	H	α-helix	trans	-70	-35.1	173.1	-75	178.5	156.3	0	0	111.8	L1118 H1122 K1181 H1182 Q1183 L1189	L1118-E1185 HydrophobicContact CD1-CB 4.48Å; L1118-E1185 HydrophobicContact CD2-CB 4.39Å; L1118-E1185 WeakPolarHBondContact CD2-O 3.45Å; H1122-E1185 IonicContact CD2-OE2 3.67Å; H1122-E1185 PolarHBondContact CD2-OE2 3.2Å; H1122-E1185 IonicContact CE1-OE2 2.71Å; H1122-E1185 IonicContact NE2-OE2 3.6Å; H1122-E1185 PolarHBondContact NE2-OE2 3.33Å; K1181-E1185 WeakPolarHBondContact CE-OE1 3.32Å; K1181-E1185 IonicContact NZ-OE1 3.25Å; K1181-E1185 PolarHBondContact NZ-OE1 2.82Å; K1181-E1185 PolarHBondContact O-N 2.67Å; H1182-E1185 IonicContact CD2-OE2 3.78Å; H1182-E1185 PolarHBondContact O-N 3.17Å; Q1183-E1185 VanDerWaalsContact C-N 3.34Å; Q1183-E1185 PolarHBondContact O-N 2.81Å; E1185-L1189 PolarHBondContact O-N 2.72Å
1186	M	87.1	Confident	87.6	Confident	23 Å²	23	76.2 Å²	76.2	11%	0.113	36%	0.361	C	S	.	.	H	α-helix	trans	-67.5	-52.9	171.8	-77.3	-58.6	-45.6	0	0	111.7	T1115 L1118 K1119 H1182 Q1183 Q1188 L1189 E1190	T1115-M1186 HydrophobicContact CG2-CE 4.21Å; L1118-M1186 HydrophobicContact CD2-SD 3.84Å; L1118-M1186 HydrophobicContact CG-SD 4.33Å; K1119-M1186 HydrophobicContact CG-SD 4.47Å; H1182-M1186 WeakPolarHBondContact O-CG 3.48Å; H1182-M1186 PolarHBondContact O-N 3.32Å; Q1183-M1186 WeakPolarHBondContact O-CB 3.23Å; Q1183-M1186 PolarHBondContact O-N 2.98Å; Q1183-M1186 VanDerWaalsContact O-N 3.14Å; M1186-Q1188 VanDerWaalsContact C-N 3.26Å; M1186-Q1188 PolarHBondContact O-N 3.33Å; M1186-L1189 WeakPolarHBondContact O-CA 3.1Å; M1186-L1189 WeakPolarHBondContact O-CB 3.43Å; M1186-L1189 PolarHBondContact O-N 2.8Å; M1186-E1190 HydrophobicContact CE-CG 4.31Å; M1186-E1190 WeakPolarHBondContact CE-OE1 3.5Å; M1186-E1190 WeakPolarHBondContact O-CG 3.16Å; M1186-E1190 PolarHBondContact O-N 3.04Å
1187	E	88.3	Confident	88	Confident	89 Å²	89	72.3 Å²	72.3	42%	0.416	35%	0.347	S	S	.	.	H	α-helix	trans	-55.3	-40.4	179.4	-70.9	162.8	174.9	0	0	112.1	Q1183 K1191	Q1183-E1187 VanDerWaalsContact CG-OE1 3.26Å; Q1183-E1187 WeakPolarHBondContact CG-OE1 3.34Å; Q1183-E1187 PolarHBondContact NE2-OE1 3.48Å; Q1183-E1187 WeakPolarHBondContact O-CG 3.36Å; Q1183-E1187 PolarHBondContact O-N 3.07Å; E1187-K1191 WeakPolarHBondContact O-CB 3.35Å; E1187-K1191 PolarHBondContact O-N 2.95Å
1188	Q	88	Confident	88	Confident	101 Å²	101	67.9 Å²	67.9	47%	0.472	34%	0.335	S	S	.	.	H	α-helix	trans	-72.7	-30.6	177.3	-175.7	57.9	85.1	0	0	112.9	K1184 M1186 N1192	K1184-Q1188 VanDerWaalsContact O-CB 3.26Å; K1184-Q1188 WeakPolarHBondContact O-CB 3.49Å; K1184-Q1188 PolarHBondContact O-N 3.45Å; K1184-Q1188 VanDerWaalsContact O-N 3.11Å; M1186-Q1188 VanDerWaalsContact C-N 3.26Å; M1186-Q1188 PolarHBondContact O-N 3.33Å; Q1188-N1192 PolarHBondContact NE2-OD1 3.38Å; Q1188-N1192 PolarHBondContact O-N 3.31Å; Q1188-N1192 PolarHBondContact O-ND2 2.97Å; Q1188-N1192 PolarHBondContact O-OD1 3.39Å
1189	L	88.7	Confident	88.1	Confident	11 Å²	11	72.1 Å²	72.1	6%	0.058	35%	0.352	C	S	.	.	H	α-helix	trans	-70.3	-49.6	171.4	178.9	61.8	0	0	0	110.6	V965 Q1114 L1118 E1185 M1186 K1191 N1192 Q1193	V965-L1189 HydrophobicContact CG1-CD1 4.42Å; Q1114-L1189 HydrophobicContact CB-CD1 4.35Å; Q1114-L1189 HydrophobicContact CB-CD2 4.46Å; L1118-L1189 HydrophobicContact CB-CD2 4.15Å; L1118-L1189 HydrophobicContact CD2-CB 4.01Å; L1118-L1189 HydrophobicContact CD2-CD2 3.67Å; L1118-L1189 HydrophobicContact CD2-CG 4.47Å; E1185-L1189 PolarHBondContact O-N 2.72Å; M1186-L1189 WeakPolarHBondContact O-CA 3.1Å; M1186-L1189 WeakPolarHBondContact O-CB 3.43Å; M1186-L1189 PolarHBondContact O-N 2.8Å; L1189-K1191 VanDerWaalsContact C-N 3.33Å; L1189-K1191 PolarHBondContact O-N 2.7Å; L1189-N1192 CarbonylContact O-C 3.59Å; L1189-N1192 WeakPolarHBondContact O-CA 3.34Å; L1189-N1192 WeakPolarHBondContact O-CB 3.41Å; L1189-N1192 PolarHBondContact O-N 2.56Å; L1189-Q1193 HydrophobicContact CD1-CG 4.19Å; L1189-Q1193 HydrophobicContact CG-CG 4.33Å; L1189-Q1193 WeakPolarHBondContact O-CG 3.3Å; L1189-Q1193 PolarHBondContact O-N 2.86Å
1190	E	86.6	Confident	88.5	Confident	99 Å²	99	69.5 Å²	69.5	46%	0.463	33%	0.33	S	S	.	.	H	α-helix	trans	-58.2	-44.6	179.5	-72	168.3	-173.9	0	0	111	M1186 N1192 Q1193 T1194	M1186-E1190 HydrophobicContact CE-CG 4.31Å; M1186-E1190 WeakPolarHBondContact CE-OE1 3.5Å; M1186-E1190 WeakPolarHBondContact O-CG 3.16Å; M1186-E1190 PolarHBondContact O-N 3.04Å; E1190-N1192 PolarHBondContact O-N 3.43Å; E1190-Q1193 PolarHBondContact O-N 3.39Å; E1190-Q1193 VanDerWaalsContact O-N 3.1Å; E1190-T1194 PolarHBondContact O-N 2.95Å; E1190-T1194 PolarHBondContact O-OG1 3.28Å
1191	K	89.3	Confident	88.6	Confident	121 Å²	121	67.6 Å²	67.6	53%	0.526	32%	0.32	S	S	.	.	H	α-helix	trans	-57	-45.1	171.3	-179	175.9	176.9	178.8	0	112.8	E1187 L1189 Q1193 T1194 E1195	E1187-K1191 WeakPolarHBondContact O-CB 3.35Å; E1187-K1191 PolarHBondContact O-N 2.95Å; L1189-K1191 VanDerWaalsContact C-N 3.33Å; L1189-K1191 PolarHBondContact O-N 2.7Å; K1191-Q1193 VanDerWaalsContact C-N 3.27Å; K1191-Q1193 PolarHBondContact O-N 3.04Å; K1191-T1194 PolarHBondContact O-N 3.18Å; K1191-E1195 WeakPolarHBondContact O-CB 3.43Å; K1191-E1195 PolarHBondContact O-N 3.04Å
1192	N	86.9	Confident	88.6	Confident	42 Å²	42	68.5 Å²	68.5	23%	0.225	32%	0.324	C	S	.	.	H	α-helix	trans	-64.4	-33.1	177.4	-70.9	-9.2	0	0	0	111.9	Q1188 L1189 E1190 Q1196	Q1188-N1192 PolarHBondContact NE2-OD1 3.38Å; Q1188-N1192 PolarHBondContact O-N 3.31Å; Q1188-N1192 PolarHBondContact O-ND2 2.97Å; Q1188-N1192 PolarHBondContact O-OD1 3.39Å; L1189-N1192 CarbonylContact O-C 3.59Å; L1189-N1192 WeakPolarHBondContact O-CA 3.34Å; L1189-N1192 WeakPolarHBondContact O-CB 3.41Å; L1189-N1192 PolarHBondContact O-N 2.56Å; E1190-N1192 PolarHBondContact O-N 3.43Å; N1192-Q1196 VanDerWaalsContact O-CG 3.23Å; N1192-Q1196 WeakPolarHBondContact O-CG 3.49Å; N1192-Q1196 PolarHBondContact O-N 3.42Å
1193	Q	89	Confident	88.6	Confident	21 Å²	21	69.7 Å²	69.7	10%	0.098	33%	0.33	C	S	.	.	H	α-helix	trans	-73	-43.8	178.8	-70.1	-177.8	-16.6	0	0	111.6	Q1111 T1115 L1189 E1190 K1191 Q1196 L1197	Q1111-Q1193 HydrophobicContact CB-CG 4.16Å; Q1111-Q1193 HydrophobicContact CG-CB 4.17Å; Q1111-Q1193 HydrophobicContact CG-CG 3.79Å; Q1111-Q1193 PolarHBondContact NE2-O 2.93Å; Q1111-Q1193 PolarHBondContact O-NE2 3.5Å; T1115-Q1193 PolarHBondContact OG1-NE2 3.34Å; T1115-Q1193 PolarHBondContact OG1-OE1 2.79Å; L1189-Q1193 HydrophobicContact CD1-CG 4.19Å; L1189-Q1193 HydrophobicContact CG-CG 4.33Å; L1189-Q1193 WeakPolarHBondContact O-CG 3.3Å; L1189-Q1193 PolarHBondContact O-N 2.86Å; E1190-Q1193 PolarHBondContact O-N 3.39Å; E1190-Q1193 VanDerWaalsContact O-N 3.1Å; K1191-Q1193 VanDerWaalsContact C-N 3.27Å; K1191-Q1193 PolarHBondContact O-N 3.04Å; Q1193-Q1196 WeakPolarHBondContact O-CB 3.4Å; Q1193-Q1196 PolarHBondContact O-N 3.34Å; Q1193-L1197 PolarHBondContact O-N 2.8Å
1194	T	87.1	Confident	88.7	Confident	85 Å²	85	64.8 Å²	64.8	52%	0.521	31%	0.307	S	S	.	.	H	α-helix	trans	-59.3	-46.5	170.1	-55.2	0	0	0	0	110.8	E1190 K1191 Q1196 L1197 D1198	E1190-T1194 PolarHBondContact O-N 2.95Å; E1190-T1194 PolarHBondContact O-OG1 3.28Å; K1191-T1194 PolarHBondContact O-N 3.18Å; T1194-Q1196 VanDerWaalsContact C-N 3.26Å; T1194-Q1196 PolarHBondContact O-N 2.9Å; T1194-L1197 PolarHBondContact O-N 3.25Å; T1194-L1197 VanDerWaalsContact O-N 3.12Å; T1194-D1198 WeakPolarHBondContact O-CB 3.45Å; T1194-D1198 PolarHBondContact O-N 3.48Å
1195	E	88.9	Confident	88.6	Confident	81 Å²	81	62.2 Å²	62.2	38%	0.379	30%	0.297	S	S	.	.	H	α-helix	trans	-61	-28.9	175.8	-89.7	-161.8	-135.2	0	0	114.2	K1191 K1199	K1191-E1195 WeakPolarHBondContact O-CB 3.43Å; K1191-E1195 PolarHBondContact O-N 3.04Å; E1195-K1199 WeakPolarHBondContact O-CD 3.33Å; E1195-K1199 WeakPolarHBondContact O-CE 3.49Å; E1195-K1199 WeakPolarHBondContact O-CG 3.24Å; E1195-K1199 PolarHBondContact O-NZ 3.12Å; E1195-K1199 IonicContact OE2-NZ 3.71Å; E1195-K1199 PolarHBondContact OE2-NZ 3.4Å
1196	Q	87.9	Confident	88.5	Confident	20 Å²	20	66.6 Å²	66.6	9%	0.093	32%	0.317	C	S	.	.	H	α-helix	trans	-76	-40.5	173.2	-74.9	162	15.6	0	0	111.5	N967 L1107 N1192 Q1193 T1194 K1199 L1200	N967-Q1196 PolarHBondContact OD1-NE2 3.19Å; L1107-Q1196 HydrophobicContact CD1-CB 4.19Å; L1107-Q1196 HydrophobicContact CD2-CB 4.28Å; N1192-Q1196 VanDerWaalsContact O-CG 3.23Å; N1192-Q1196 WeakPolarHBondContact O-CG 3.49Å; N1192-Q1196 PolarHBondContact O-N 3.42Å; Q1193-Q1196 WeakPolarHBondContact O-CB 3.4Å; Q1193-Q1196 PolarHBondContact O-N 3.34Å; T1194-Q1196 VanDerWaalsContact C-N 3.26Å; T1194-Q1196 PolarHBondContact O-N 2.9Å; Q1196-K1199 PolarHBondContact O-N 3.17Å; Q1196-L1200 PolarHBondContact O-N 3.4Å
1197	L	89.6	Confident	88.5	Confident	57 Å²	57	67.8 Å²	67.8	30%	0.298	32%	0.324	S	S	.	.	H	α-helix	trans	-62	-51.4	177.3	-173	63.7	0	0	0	110.1	L1107 Q1193 T1194 K1199 L1200 E1201	L1107-L1197 HydrophobicContact CD2-CB 4.42Å; L1107-L1197 HydrophobicContact CD2-CD1 4.22Å; Q1193-L1197 PolarHBondContact O-N 2.8Å; T1194-L1197 PolarHBondContact O-N 3.25Å; T1194-L1197 VanDerWaalsContact O-N 3.12Å; L1197-K1199 PolarHBondContact O-N 2.88Å; L1197-K1199 VanDerWaalsContact O-N 3.16Å; L1197-L1200 CarbonylContact O-C 3.6Å; L1197-L1200 WeakPolarHBondContact O-CA 3.28Å; L1197-L1200 PolarHBondContact O-N 3.09Å; L1197-E1201 HydrophobicContact CD1-CG 4.26Å; L1197-E1201 HydrophobicContact CG-CG 4.3Å; L1197-E1201 WeakPolarHBondContact O-CG 3.49Å; L1197-E1201 PolarHBondContact O-N 3.31Å
1198	D	88.6	Confident	88.3	Confident	70 Å²	70	65.8 Å²	65.8	37%	0.374	32%	0.316	S	S	.	.	H	α-helix	trans	-47.1	-45.1	173.9	-115.9	61.8	0	0	0	113.1	T1194 K1202	T1194-D1198 WeakPolarHBondContact O-CB 3.45Å; T1194-D1198 PolarHBondContact O-N 3.48Å; D1198-K1202 WeakPolarHBondContact O-CB 3.28Å; D1198-K1202 WeakPolarHBondContact O-CD 2.95Å; D1198-K1202 VanDerWaalsContact O-CG 3.3Å; D1198-K1202 WeakPolarHBondContact O-CG 3.44Å; D1198-K1202 PolarHBondContact O-N 3.18Å; D1198-K1202 VanDerWaalsContact O-N 3.11Å; D1198-K1202 IonicContact OD2-NZ 2.65Å; D1198-K1202 PolarHBondContact OD2-NZ 2.93Å
1199	K	89.3	Confident	88	Confident	114 Å²	114	67.2 Å²	67.2	50%	0.496	32%	0.321	S	S	.	.	H	α-helix	trans	-71.6	-36.8	-179.3	-70.5	162.9	-161.7	151.1	0	111.3	E1195 Q1196 L1197 H1203	E1195-K1199 WeakPolarHBondContact O-CD 3.33Å; E1195-K1199 WeakPolarHBondContact O-CE 3.49Å; E1195-K1199 WeakPolarHBondContact O-CG 3.24Å; E1195-K1199 PolarHBondContact O-NZ 3.12Å; E1195-K1199 IonicContact OE2-NZ 3.71Å; E1195-K1199 PolarHBondContact OE2-NZ 3.4Å; Q1196-K1199 PolarHBondContact O-N 3.17Å; L1197-K1199 PolarHBondContact O-N 2.88Å; L1197-K1199 VanDerWaalsContact O-N 3.16Å; K1199-H1203 WeakPolarHBondContact O-CB 3.3Å; K1199-H1203 PolarHBondContact O-N 3.41Å; K1199-H1203 VanDerWaalsContact O-N 3.11Å
1200	L	91	Very high	87.6	Confident	1 Å²	1	69.7 Å²	69.7	1%	0.005	34%	0.339	C	S	.	.	H	α-helix	trans	-72	-38.6	175.4	178.5	60.6	0	0	0	112.5	I970 L973 L1103 K1104 L1107 Q1196 L1197 H1203 N1204	I970-L1200 HydrophobicContact CD1-CB 4.38Å; I970-L1200 HydrophobicContact CD1-CD1 4.25Å; I970-L1200 HydrophobicContact CG1-CD1 4.22Å; I970-L1200 HydrophobicContact CG2-CD1 4.1Å; L973-L1200 HydrophobicContact CD1-CD2 4.46Å; L1103-L1200 HydrophobicContact CB-CD1 3.9Å; L1103-L1200 HydrophobicContact CB-CD2 4.24Å; L1103-L1200 HydrophobicContact CD1-CD1 4.43Å; K1104-L1200 HydrophobicContact CG-CD2 4.25Å; L1107-L1200 HydrophobicContact CB-CD2 3.9Å; L1107-L1200 HydrophobicContact CD2-CB 4.12Å; L1107-L1200 HydrophobicContact CD2-CD2 3.66Å; L1107-L1200 HydrophobicContact CG-CD2 4.43Å; Q1196-L1200 PolarHBondContact O-N 3.4Å; L1197-L1200 CarbonylContact O-C 3.6Å; L1197-L1200 WeakPolarHBondContact O-CA 3.28Å; L1197-L1200 PolarHBondContact O-N 3.09Å; L1200-H1203 PolarHBondContact O-N 3.42Å; L1200-N1204 WeakPolarHBondContact O-CB 3.43Å; L1200-N1204 VanDerWaalsContact O-CG 3.3Å; L1200-N1204 PolarHBondContact O-N 3.24Å
1201	E	89.1	Confident	87.2	Confident	71 Å²	71	67.4 Å²	67.4	33%	0.332	33%	0.328	S	S	.	.	H	α-helix	trans	-67.8	-44.5	178.3	-63.1	-157.1	145.4	0	0	111.2	K1104 L1197 H1203 N1204 E1205	K1104-E1201 VanDerWaalsContact CE-OE1 3.27Å; K1104-E1201 WeakPolarHBondContact CE-OE1 3.15Å; K1104-E1201 IonicContact NZ-OE1 3.83Å; K1104-E1201 PolarHBondContact NZ-OE1 2.86Å; L1197-E1201 HydrophobicContact CD1-CG 4.26Å; L1197-E1201 HydrophobicContact CG-CG 4.3Å; L1197-E1201 WeakPolarHBondContact O-CG 3.49Å; L1197-E1201 PolarHBondContact O-N 3.31Å; E1201-H1203 VanDerWaalsContact C-N 3.28Å; E1201-H1203 PolarHBondContact O-N 2.87Å; E1201-N1204 PolarHBondContact O-N 3.39Å; E1201-N1204 VanDerWaalsContact O-N 3.16Å; E1201-E1205 WeakPolarHBondContact O-CB 3.36Å; E1201-E1205 PolarHBondContact O-N 2.97Å
1202	K	89.9	Confident	86.4	Confident	112 Å²	112	65.7 Å²	65.7	49%	0.487	32%	0.322	S	S	.	.	H	α-helix	trans	-61.3	-34.5	172.7	-70.8	162.7	-168.8	166.5	0	112.4	D1198 Q1206	D1198-K1202 WeakPolarHBondContact O-CB 3.28Å; D1198-K1202 WeakPolarHBondContact O-CD 2.95Å; D1198-K1202 VanDerWaalsContact O-CG 3.3Å; D1198-K1202 WeakPolarHBondContact O-CG 3.44Å; D1198-K1202 PolarHBondContact O-N 3.18Å; D1198-K1202 VanDerWaalsContact O-N 3.11Å; D1198-K1202 IonicContact OD2-NZ 2.65Å; D1198-K1202 PolarHBondContact OD2-NZ 2.93Å; K1202-Q1206 WeakPolarHBondContact O-CB 3.35Å; K1202-Q1206 VanDerWaalsContact O-N 3.13Å; K1202-Q1206 PolarHBondContact O-N 3.38Å; K1202-Q1206 VanDerWaalsContact O-CG 3.25Å; K1202-Q1206 WeakPolarHBondContact O-CG 3.17Å
1203	H	90	Very high	85.6	Confident	48 Å²	48	66.2 Å²	66.2	22%	0.222	33%	0.332	C	S	.	.	H	α-helix	trans	-67.8	-46.2	172.3	-177.7	69.4	0	0	0	112.6	I970 K974 K1199 L1200 E1201 Q1206 L1207	I970-H1203 HydrophobicContact CD1-CB 3.69Å; K974-H1203 PolarHBondContact NZ-NE2 2.96Å; K1199-H1203 WeakPolarHBondContact O-CB 3.3Å; K1199-H1203 PolarHBondContact O-N 3.41Å; K1199-H1203 VanDerWaalsContact O-N 3.11Å; L1200-H1203 PolarHBondContact O-N 3.42Å; E1201-H1203 VanDerWaalsContact C-N 3.28Å; E1201-H1203 PolarHBondContact O-N 2.87Å; H1203-Q1206 PolarHBondContact O-N 3.41Å; H1203-L1207 WeakPolarHBondContact O-CB 3.43Å; H1203-L1207 PolarHBondContact O-N 2.87Å
1204	N	90.4	Very high	84.2	Confident	5 Å²	5	70 Å²	70	3%	0.027	35%	0.353	C	S	.	.	H	α-helix	trans	-65.4	-39.1	179.2	-75.5	-7.9	0	0	0	111.9	C1100 L1200 E1201 L1207 L1208	C1100-N1204 HydrophobicContact CB-CB 4.07Å; C1100-N1204 PolarHBondContact O-ND2 2.85Å; C1100-N1204 VanDerWaalsContact O-ND2 3.14Å; L1200-N1204 WeakPolarHBondContact O-CB 3.43Å; L1200-N1204 VanDerWaalsContact O-CG 3.3Å; L1200-N1204 PolarHBondContact O-N 3.24Å; E1201-N1204 PolarHBondContact O-N 3.39Å; E1201-N1204 VanDerWaalsContact O-N 3.16Å; N1204-L1207 WeakPolarHBondContact O-CB 3.35Å; N1204-L1207 PolarHBondContact O-N 3.05Å; N1204-L1208 WeakPolarHBondContact O-CG 3.38Å; N1204-L1208 PolarHBondContact O-N 3.46Å; N1204-L1208 WeakPolarHBondContact O-CB 3.37Å
1205	E	86.9	Confident	83	Confident	92 Å²	92	70.5 Å²	70.5	43%	0.43	35%	0.348	S	S	.	.	H	α-helix	trans	-58.9	-48.8	170.8	-85.6	-169.7	-121.9	0	0	111.9	E1201 L1207 L1208 K1209	E1201-E1205 WeakPolarHBondContact O-CB 3.36Å; E1201-E1205 PolarHBondContact O-N 2.97Å; E1205-L1207 VanDerWaalsContact C-N 3.29Å; E1205-L1207 PolarHBondContact O-N 2.97Å; E1205-L1208 PolarHBondContact O-N 3.32Å; E1205-K1209 VanDerWaalsContact O-CB 3.22Å; E1205-K1209 PolarHBondContact OE2-NZ 3.17Å; E1205-K1209 IonicContact OE2-NZ 3.92Å; E1205-K1209 PolarHBondContact O-N 3.31Å; E1205-K1209 WeakPolarHBondContact O-CG 3.39Å; E1205-K1209 WeakPolarHBondContact O-CD 3.41Å; E1205-K1209 WeakPolarHBondContact O-CB 3.32Å
1206	Q	87	Confident	81.2	Confident	135 Å²	135	74 Å²	74	63%	0.631	36%	0.364	S	S	*	.	H	α-helix	trans	-61.9	-39.2	177.8	-74.9	173.7	5.8	0	0	111.5	K1202 H1203 S1210	K1202-Q1206 WeakPolarHBondContact O-CB 3.35Å; K1202-Q1206 VanDerWaalsContact O-N 3.13Å; K1202-Q1206 PolarHBondContact O-N 3.38Å; K1202-Q1206 VanDerWaalsContact O-CG 3.25Å; K1202-Q1206 WeakPolarHBondContact O-CG 3.17Å; H1203-Q1206 PolarHBondContact O-N 3.41Å; Q1206-S1210 VanDerWaalsContact O-CB 3.28Å; Q1206-S1210 WeakPolarHBondContact O-CB 3.44Å; Q1206-S1210 PolarHBondContact O-N 3.15Å; Q1206-S1210 PolarHBondContact O-OG 3.48Å
1207	L	85.2	Confident	79.6	Confident	49 Å²	49	78.4 Å²	78.4	26%	0.257	39%	0.392	S	S	.	.	H	α-helix	trans	-60.8	-53.3	175.7	-160.8	78	0	0	0	111	V1096 H1203 N1204 E1205 S1210 H1211	V1096-L1207 HydrophobicContact CG1-CD2 4.01Å; V1096-L1207 HydrophobicContact CG1-CG 4.29Å; H1203-L1207 WeakPolarHBondContact O-CB 3.43Å; H1203-L1207 PolarHBondContact O-N 2.87Å; N1204-L1207 WeakPolarHBondContact O-CB 3.35Å; N1204-L1207 PolarHBondContact O-N 3.05Å; E1205-L1207 VanDerWaalsContact C-N 3.29Å; E1205-L1207 PolarHBondContact O-N 2.97Å; L1207-S1210 PolarHBondContact O-N 2.94Å; L1207-S1210 PolarHBondContact O-OG 3.36Å; L1207-H1211 PolarHBondContact O-N 3.24Å
1208	L	84.9	Confident	77.7	Confident	47 Å²	47	83.2 Å²	83.2	25%	0.246	41%	0.413	C	S	.	.	H	α-helix	trans	-61.8	-47	178.7	-72.9	164.5	0	0	0	112	V1096 N1204 E1205 S1210 H1211 H1212	V1096-L1208 HydrophobicContact CG1-CD2 3.84Å; V1096-L1208 HydrophobicContact CG1-CG 4.47Å; N1204-L1208 WeakPolarHBondContact O-CG 3.38Å; N1204-L1208 PolarHBondContact O-N 3.46Å; N1204-L1208 WeakPolarHBondContact O-CB 3.37Å; E1205-L1208 PolarHBondContact O-N 3.32Å; L1208-S1210 PolarHBondContact O-N 3Å; L1208-S1210 VanDerWaalsContact C-N 3.29Å; L1208-H1211 PolarHBondContact O-N 3.12Å; L1208-H1211 VanDerWaalsContact O-N 3.12Å; L1208-H1212 PolarHBondContact O-CD2 3.4Å; L1208-H1212 VanDerWaalsContact O-CD2 3.3Å; L1208-H1212 PolarHBondContact O-N 3.08Å
1209	K	82.3	Confident	75.7	Confident	131 Å²	131	82.6 Å²	82.6	57%	0.57	42%	0.424	S	S	*	.	H	α-helix	trans	-59.7	-38.5	176.5	-72.7	167	177.8	173.2	0	111.5	E1205 A1213	E1205-K1209 VanDerWaalsContact O-CB 3.22Å; E1205-K1209 PolarHBondContact OE2-NZ 3.17Å; E1205-K1209 IonicContact OE2-NZ 3.92Å; E1205-K1209 PolarHBondContact O-N 3.31Å; E1205-K1209 WeakPolarHBondContact O-CG 3.39Å; E1205-K1209 WeakPolarHBondContact O-CD 3.41Å; E1205-K1209 WeakPolarHBondContact O-CB 3.32Å; K1209-A1213 WeakPolarHBondContact O-CB 3.38Å; K1209-A1213 PolarHBondContact O-N 3.11Å
1210	S	79.2	Confident	73.3	Confident	62 Å²	62	86.1 Å²	86.1	43%	0.434	44%	0.442	S	S	.	.	H	α-helix	trans	-68.9	-35.4	174.9	78.7	0	0	0	0	113.5	Q1206 L1207 L1208 N1214	Q1206-S1210 VanDerWaalsContact O-CB 3.28Å; Q1206-S1210 WeakPolarHBondContact O-CB 3.44Å; Q1206-S1210 PolarHBondContact O-N 3.15Å; Q1206-S1210 PolarHBondContact O-OG 3.48Å; L1207-S1210 PolarHBondContact O-N 2.94Å; L1207-S1210 PolarHBondContact O-OG 3.36Å; L1208-S1210 PolarHBondContact O-N 3Å; L1208-S1210 VanDerWaalsContact C-N 3.29Å; S1210-N1214 PolarHBondContact O-N 3.21Å; S1210-N1214 PolarHBondContact O-ND2 3.23Å; S1210-N1214 VanDerWaalsContact O-ND2 3.08Å
1211	H	78.5	Confident	70.7	Confident	51 Å²	51	89.3 Å²	89.3	24%	0.236	48%	0.475	C	S	.	.	H	α-helix	trans	-69.6	-44.3	176	-158.8	-106.1	0	0	0	111	D1093 L1207 L1208 N1214 K1215	D1093-H1211 IonicContact OD1-CE1 3.4Å; D1093-H1211 PolarHBondContact OD1-CE1 3.28Å; D1093-H1211 IonicContact OD1-ND1 3.24Å; D1093-H1211 PolarHBondContact OD1-ND1 3.26Å; L1207-H1211 PolarHBondContact O-N 3.24Å; L1208-H1211 PolarHBondContact O-N 3.12Å; L1208-H1211 VanDerWaalsContact O-N 3.12Å; H1211-N1214 PolarHBondContact O-N 3.31Å; H1211-K1215 PolarHBondContact O-N 2.78Å
1212	H	73.1	Confident	68.1	Low	86 Å²	86	94.5 Å²	94.5	40%	0.398	50%	0.499	S	S	.	.	H	α-helix	trans	-71.6	-27.1	177.6	-61.2	-34.8	0	0	0	113.6	D1093 L1208 K1215	D1093-H1212 IonicContact OD1-CE1 3.63Å; D1093-H1212 IonicContact OD1-ND1 2.72Å; L1208-H1212 PolarHBondContact O-CD2 3.4Å; L1208-H1212 VanDerWaalsContact O-CD2 3.3Å; L1208-H1212 PolarHBondContact O-N 3.08Å; H1212-K1215 WeakPolarHBondContact O-CB 3.43Å; H1212-K1215 PolarHBondContact O-N 2.85Å
1213	A	69.3	Low	65.6	Low	53 Å²	53	94.5 Å²	94.5	44%	0.438	51%	0.51	S	S	.	.	H	α-helix	trans	-62.4	-44.1	169.7	0	0	0	0	0	111.7	K1209 K1215 Q1216 V1217	K1209-A1213 WeakPolarHBondContact O-CB 3.38Å; K1209-A1213 PolarHBondContact O-N 3.11Å; A1213-K1215 PolarHBondContact O-N 3.31Å; A1213-Q1216 PolarHBondContact O-N 3.43Å; A1213-Q1216 VanDerWaalsContact O-N 3.15Å; A1213-V1217 PolarHBondContact O-N 3.03Å
1214	N	60.8	Low	63	Low	100 Å²	100	97.2 Å²	97.2	54%	0.535	54%	0.541	S	S	.	.	H	α-helix	trans	-62.7	-27	174.5	-74.3	-49.8	0	0	0	112.9	S1210 H1211 Q1216 Q1218	S1210-N1214 PolarHBondContact O-N 3.21Å; S1210-N1214 PolarHBondContact O-ND2 3.23Å; S1210-N1214 VanDerWaalsContact O-ND2 3.08Å; H1211-N1214 PolarHBondContact O-N 3.31Å; N1214-Q1216 VanDerWaalsContact C-N 3.3Å; N1214-Q1216 PolarHBondContact O-N 3.44Å; N1214-Q1218 PolarHBondContact O-N 3.45Å
1215	K	60.3	Low	60.3	Low	95 Å²	95	104.5 Å²	104.5	41%	0.413	58%	0.58	S	S	.	*	H	α-helix	trans	-64.8	-29.7	175.6	-163.9	168.9	177.4	166.7	0	112.7	D1093 H1211 H1212 A1213	D1093-K1215 IonicContact OD2-NZ 3.58Å; D1093-K1215 PolarHBondContact OD2-NZ 3.11Å; H1211-K1215 PolarHBondContact O-N 2.78Å; H1212-K1215 WeakPolarHBondContact O-CB 3.43Å; H1212-K1215 PolarHBondContact O-N 2.85Å; A1213-K1215 PolarHBondContact O-N 3.31Å
1216	Q	52.7	Low	58.1	Low	155 Å²	155	103.9 Å²	103.9	72%	0.724	60%	0.599	S	S	*	*	H	α-helix	trans	-81.5	-44.1	175.4	-69.4	-173.7	-11	0	0	112.7	A1213 N1214 Q1218 G1219	A1213-Q1216 PolarHBondContact O-N 3.43Å; A1213-Q1216 VanDerWaalsContact O-N 3.15Å; N1214-Q1216 VanDerWaalsContact C-N 3.3Å; N1214-Q1216 PolarHBondContact O-N 3.44Å; Q1216-Q1218 VanDerWaalsContact C-N 3.33Å; Q1216-Q1218 PolarHBondContact O-N 3.36Å; Q1216-G1219 PolarHBondContact O-N 3.47Å
1217	V	53.8	Low	55.3	Low	113 Å²	113	107 Å²	107	69%	0.685	61%	0.613	S	S	*	*	H	α-helix	trans	-64.2	-35.2	-174.6	-179.2	0	0	0	0	112.4	A1213 G1219	A1213-V1217 PolarHBondContact O-N 3.03Å; V1217-G1219 VanDerWaalsContact C-N 3.25Å; V1217-G1219 PolarHBondContact O-N 3.38Å
1218	Q	49.4	Very low	53.2	Low	157 Å²	157	111.9 Å²	111.9	73%	0.734	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	1	174.9	-67.1	-171.7	-12.9	0	0	114.2	N1214 Q1216	N1214-Q1218 PolarHBondContact O-N 3.45Å; Q1216-Q1218 VanDerWaalsContact C-N 3.33Å; Q1216-Q1218 PolarHBondContact O-N 3.36Å
1219	G	45.5	Very low	50.5	Low	58 Å²	58	113.3 Å²	113.3	60%	0.598	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-13.7	176.5	0	0	0	0	0	114.6	Q1216 V1217	Q1216-G1219 PolarHBondContact O-N 3.47Å; V1217-G1219 VanDerWaalsContact C-N 3.25Å; V1217-G1219 PolarHBondContact O-N 3.38Å
1220	Q	40.7	Very low	48.1	Very low	187 Å²	187	111.1 Å²	111.1	87%	0.874	69%	0.685	S	S	*	*			trans	-111.9	65.8	-176.4	-67.6	-173.2	-15.9	0	0	111.7
1221	G	36.2	Very low	45.7	Very low	69 Å²	69	111.8 Å²	111.8	71%	0.711	70%	0.702	S	S	*	*			trans	-96.1	119.9	167.3	0	0	0	0	0	110.6
1222	H	34.5	Very low	43.5	Very low	180 Å²	180	117.2 Å²	117.2	83%	0.833	73%	0.732	S	S	*	*			trans	-23	132.3	-175.9	-90.3	-91.4	0	0	0	118.2
1223	P	36.9	Very low	41.4	Very low	111 Å²	111	116.3 Å²	116.3	72%	0.721	75%	0.746	S	S	*	*			trans	-66.1	149.9	155.8	32.8	-34.4	0	0	0	109.7	D1225	P1223-D1225 PolarHBondContact O-N 2.94Å
1224	A	34.4	Very low	40.1	Very low	105 Å²	105	120.1 Å²	120.1	87%	0.868	77%	0.767	S	S	*	*			trans	-87.4	104.2	-178.8	0	0	0	0	0	111.4
1225	D	34.3	Very low	38.5	Very low	159 Å²	159	124.8 Å²	124.8	85%	0.85	79%	0.785	S	S	*	*			trans	-69.6	134.8	158	-73.7	-50.3	0	0	0	109.2	P1223	P1223-D1225 PolarHBondContact O-N 2.94Å
1226	G	40.3	Very low	37.1	Very low	79 Å²	79	126.2 Å²	126.2	81%	0.814	80%	0.802	S	S	*	*			trans	-108.9	122.2	-179.4	0	0	0	0	0	111.8
1227	E	29.4	Very low	35.8	Very low	201 Å²	201	124.5 Å²	124.5	94%	0.939	81%	0.806	S	S	*	*			trans	-137.4	161.9	166.5	-136.3	176.8	-155.2	0	0	111.6
1228	V	41.4	Very low	34.5	Very low	150 Å²	150	128.2 Å²	128.2	91%	0.909	82%	0.815	S	S	*	*			trans	-98.4	126.8	-159.3	178.7	0	0	0	0	112.4
1229	G	28.4	Very low	33.5	Very low	78 Å²	78	124.6 Å²	124.6	80%	0.804	82%	0.821	S	S	*	*			trans	-146.8	118.5	167.9	0	0	0	0	0	111.3
1230	G	31.7	Very low	32.7	Very low	85 Å²	85	125.5 Å²	125.5	88%	0.876	83%	0.83	S	S	*	*			trans	-99.1	150.8	176.4	0	0	0	0	0	112.4
1231	G	28.7	Very low	32.4	Very low	75 Å²	75	124.6 Å²	124.6	77%	0.773	83%	0.83	S	S	*	*			trans	-172.2	110.2	176.6	0	0	0	0	0	112.9
1232	D	31.2	Very low	32.2	Very low	165 Å²	165	126.2 Å²	126.2	88%	0.882	83%	0.831	S	S	*	*			trans	20.2	127	159.3	-58.7	-31.5	0	0	0	122.5
1233	G	28.6	Very low	32.3	Very low	67 Å²	67	129 Å²	129	69%	0.691	85%	0.851	S	S	*	*				70.7	106.2	106	0	0	0	0	0	118.8
1234	P	42.2	Very low	32	Very low	134 Å²	134	129.9 Å²	129.9	87%	0.87	86%	0.858	S	S	*	*			trans	-74.9	138.4	175.8	31.5	-34.3	0	0	0	112.4
1235	Q	27.5	Very low	31.9	Very low	197 Å²	197	131.2 Å²	131.2	92%	0.921	86%	0.857	S	S	*	*			trans	-113.4	133.7	159.2	-84.9	-165.3	-16.7	0	0	112.1
1236	T	30.4	Very low	31.8	Very low	126 Å²	126	129.7 Å²	129.7	77%	0.773	86%	0.858	S	S	*	*			trans	-70.8	148.5	173.1	51.6	0	0	0	0	111.6
1237	C	25.3	Very low	31.3	Very low	118 Å²	118	132.6 Å²	132.6	80%	0.797	86%	0.86	S	S	*	*				179.8	162.5	108.3	-101.5	0	0	0	0	116.1
1238	H	28.3	Very low	31.4	Very low	191 Å²	191	128.4 Å²	128.4	88%	0.884	86%	0.855	S	S	*	*			trans	-50.3	147.4	176.1	-66.6	-91.2	0	0	0	117.2
1239	G	27.5	Very low	30.7	Very low	82 Å²	82	126.9 Å²	126.9	85%	0.845	85%	0.852	S	S	*	*			trans	173.9	132.1	153.4	0	0	0	0	0	111.6
1240	G	28.2	Very low	30.9	Very low	76 Å²	76	130.4 Å²	130.4	78%	0.784	86%	0.855	S	S	*	*			cis	152.8	63.7	-8.2	0	0	0	0	0	115.9
1241	L	35.7	Very low	30.8	Very low	169 Å²	169	133.9 Å²	133.9	89%	0.885	85%	0.854	S	S	*	*			trans	62.1	152.8	167.2	-73.5	163.5	0	0	0	119.1
1242	S	31.9	Very low	31	Very low	103 Å²	103	138.8 Å²	138.8	72%	0.72	86%	0.86	S	S	*	*			trans	63.3	132.1	169	29.1	0	0	0	0	116.7
1243	D	35.7	Very low	31	Very low	238 Å²	238	136.5 Å²	136.5	100%	1.273	86%	0.858	S	S	*	*			cis	-133.9	0	-2.6	-79.2	-42.3	0	0	0	111.1

Retrieved 1,243 of 1,243 residues in 7733.5 ms (Link to these results)

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